{"text": "Fretheim and colleagues' study confirms yet agaiI now work for a pharmaceutical company where the ability to change practice is a key skill. When I compare the pharmaceutical company approach to that of the health authority, there are some key differences. It is easy to deride industry\u2019s glossy advert approach, but this is simply the tip of the communications iceberg. In addition to the glossy adverts, there is immense attention by drug companies to detail. The key evidence-based messages are tested, honed, and polished and are then delivered via several channels repetitively. The channels include face-to-face delivery by the \u201cdetailers\u201d. Progress is tracked meticulously.This expensive but effective industry effort contrasts with the typical approach taken by the health authorities and other non-industry groups. The process of creating such guidelines has usually been so slow and difficult in the gestation that their credibility among GPs is low even before the rather dull photocopied paper is issued and meets its predictable fate.Fretheim and colleagues say \u201cKey components were an educational outreach visit with audit and feedback, and computerized reminders linked to the medical record system. Pharmacists conducted the visits\u201d. This feels a bit like a policing approach (another profession watching the GP) allied to computer direction, none of which feel particularly user-friendly. A non-audit nurse (or ex-drug-rep) calling briefly but frequently using the usual pens/mugs/Post-its reminder freebies might get a better response.One study by Eve et al did look"} {"text": "Zh. Str DOI: 10.1107/S1600536808009719/fi2061Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809032048/hb5044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810003727/sj2718Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efO hydrogen bonds help to establish the packing.In the title compound, [Zn(C DOI: 10.1107/S1600536809034473/hb5073Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, associations of two cations and one anion linked by N\u2014H\u22efBr hydrogen bonds occur.In the title compound, (C DOI: 10.1107/S160053680901705X/hb2965Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between rings of anion is 86.1\u2005(1)\u00b0.In the crystal of the title hydrated salt, C DOI: 10.1107/S1600536809033856/ng2622Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809020340/tk2467Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The aromatic ring with a nitro\u00adphen\u00adoxy substituent makes a dihedral angle of 54.10\u2005(7)\u00b0 with the pyrazole ring.In the title compound, C DOI: 10.1107/S1600536810008251/kp2252Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809041919/fi2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809030943/bh2240Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Nb atom is situated on a site of symmetry 6 \u2212 anion has crystallographic fourfold symmetry.The title complex, [Nb(C DOI: 10.1107/S1600536808026627/lx2067Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In addition, the dinuclear species is stabilized by two hydrogen-bonded perchlorate anions.Each Cu atom in the dinuclear centrosymmetric title complex, [Cu DOI: 10.1107/S1600536807068663/tk2238Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by extensive O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonding.In the title compound, [Ag(C DOI: 10.1107/S1600536810005027/pv2256Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This results in alternating corrugated inorganic and organic layers in the crystal.In the title mol\u00adecular salt, (C DOI: 10.1107/S160053681001812X/hb5451Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the sulfonate O atoms is disordered over two positions [ratio 0.70\u2005(5):0.30\u2005(5)].In the title compound, [Pd(C DOI: 10.1107/S1600536809032760/bx2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053680902234X/bh2230Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by \u03c0\u2013\u03c0 ; C\u2014H\u22ef\u03c0\u22eftolyl ring inter\u00adactions are also present.In the mol\u00adecule of the title compound, C DOI: 10.1107/S1600536808023222/dn2368Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordinated water mol\u00adecule plays an important role in crystal packing consolidation via O\u2014H\u22efO hydrogen bonding.In the title compound, [Sn DOI: 10.1107/S1600536808043614/cv2496Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, mol\u00adecules are linked by N\u2014H\u22efN hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, C DOI: 10.1107/S1600536808033497/bt2811Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three of the C atoms of the n-butyl group are disordered over two sites with equal occupancies.The Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536810005830/lh2995Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One organic ligand lies on a twofold rotation axis. O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds are observed in the crystal structure.The title compound, [La DOI: 10.1107/S1600536808018849/ci2610Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An N\u2014H\u22efN hydrogen-bonding inter\u00adaction between the secondary amine N atom of the macrocycle and an adjacent azide ion gives rise to a chain structure.In the centrosymmetric title compound, [Ni(N DOI: 10.1107/S1600536808018199/er2057Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate groups link adjacent LaIII ions, forming two-dimensional layers that are further linked by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title complex, [La(C DOI: 10.1107/S1600536809018194/bi2356Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The imino NH groups participate in inter\u00admolecular N\u2014H\u22efO hydrogen bonds.The title complex, [Zn(NO DOI: 10.1107/S1600536809037672/fj2244Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808013792/im2062Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the water mol\u00adecules are disordered over three sites in a 0.68:0.55:0.77 ratio.The crystal structure of the title compound, (C DOI: 10.1107/S1600536810018325/bt5270Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808002341/dn2314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is hydrogen bonding between the methanol solvent mol\u00adecule and the carbonyl O atom of the thio\u00adsalicylate ligand.In the title complex, [Ni(C DOI: 10.1107/S1600536808044280/sj2555Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex features a Pt(II) atom coordinated by two Cl and two P atoms, yielding a slightly distorted cis square-planar geometry.The title compound, [PtCl DOI: 10.1107/S1600536809042226/fi2086Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809000270/at2697Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn atom lies on a special position of site symmetry 2.The Zn atom in the title compound, [Zn(C DOI: 10.1107/S1600536808002213/hg2370Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is consolidated by additional O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.The novel pentaborate with a transition-metal complex as counter-cation and with water of crystallization, tris(ethylenediamine)cobalt(II) bis dihydrate, [Co(C DOI: 10.1107/S1600536809007296/pv2140Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All interatomic distances, angles and the hydrogen bond geometry are very similar for the three structures.The title compound, [Tb(C DOI: 10.1107/S1600536809001494/at2682Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consits of one half-mol\u00adecule which is located on a centre of inversion.In the crystal structure of the title compound, C DOI: 10.1107/S1600536809040902/nc2161Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the planes of the two NiNC3O chelate rings is 14.37\u2005(12)\u00b0.In the title complex, [Ni(C DOI: 10.1107/S1600536809019965/bt2968Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hydro\u00adcarbon chains are in the fully extended all-trans conformation and are arranged in a tail-to-tail double bilayer.The structure of the title compound, poly[di-\u03bc-penta\u00adnoato-zinc(II)], [Zn{CH DOI: 10.1107/S1600536808008283/cf2188Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810010895/bt5207Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Rh atom is four-coordinated in a distorted square-planar geometry with the P\u2014S ligand [Ph2PCH2CH(CH3)S] acting as a chelate and the PPh3 and disordered CO [site occupation factors of 0.61\u2005(5) and 0.39\u2005(5)] ligands completing the coordination.The title compound, [Rh(C DOI: 10.1107/S1600536808034284/dn2386Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two mean planes defined by the phenanthroline ligands is 88.26\u2005(6)\u00b0. Intra- and intermolecular O\u2014H\u22efO hydrogen bonds between the cation and the anions lead to the formation of a layered arrangement parallel to (010).In the mononuclear title complex, [Ni(C DOI: 10.1107/S1600536809025367/bt2976Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In common with the monoclinic polymorph [Howie et al. hydrogen-bonding inter\u00adactions generate a three-dimensional network.The asymmetric unit of the title hydrate, 2[Sn(H al. 2005. Inorg. DOI: 10.1107/S1600536810006021/hb5334Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053680900988X/bx2197Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "The methyl group is disordered over two positions of equal occupancy. The Fe\u2014C bond lengths to the two cyclo\u00adpenta\u00addiene rings vary from 2.025\u2005(6) to 2.044\u2005(6)\u2005\u00c5. Inter\u00admolecular N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the cations and anions into a three-dimensional network.In the title compound, [Fe DOI: 10.1107/S160053680902426X/rz2338Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atoms are linked by the dib ligands, forming an extended chain. These chains are linked by O\u2014H\u22efO hydrogen bonds into a three-dimensional supra\u00admolecular network. The CuII atom lies on a center of inversion. In the title linear coordination polymer, {[Cu(C DOI: 10.1107/S160053680904464X/ng2675Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging bpe ligand is arranged around a twofold axis passing through the middle of the ethane C\u2014C bond. The geometry around the ZnII ion is distorted octa\u00adhedral, constructed by four O atoms from two Hopa\u2212 ligands and two N atoms from two bridging bpe ligands. O\u2014H\u22efO hydrogen bonds link the chains, forming a three-dimensional network.The title compound, [Zn(C DOI: 10.1107/S1600536809030281/dn2478Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two independent cation\u2013anion complex entities in the asymmetric unit. Bond distances are normal for this type of complex . One of the thiol\u00adato C atoms is disordered over two sites in a 0.52\u2005(3):0.48\u2005(3) ratio.The title compound, (C DOI: 10.1107/S1600536809044821/zs2011Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Perchlorate acts as a counterion to balance the charge. The crystal structure of the title compound is stabilized by C\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title compound, [Mn(C DOI: 10.1107/S1600536808034016/at2654Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "C\u2014H\u22efO inter\u00adactions between aromatic rings and the O atoms of the nitro substituents build up a two-dimensional supra\u00admolecular arrangement parallel to (100).In the title compound, [Ni(C DOI: 10.1107/S1600536808040476/wm2206Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the 1,10-phenanthroline ligands and 5-chloro\u00adsalicylate ligands, with a centroid\u2013centroid distance between neighbouring aromatic rings of 3.730\u2005(1)\u2005\u00c5.In the title complex, [Cd(C DOI: 10.1107/S1600536808015687/wn2261Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The acetate bridges link adjacent CuII cations, forming a chain. The crystal structure involves O\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(CH DOI: 10.1107/S1600536808016073/cf2197Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of two copper(I) atoms in the asymmetric unit is three-coordinated by two N atoms from two 4,4\u2032-bipy ligands and one O atom from the acetate ligand. As both ligands act as bridging ligands, a double-stranded chain structure is observed.The title compound, {[Cu DOI: 10.1107/S1600536810002229/im2172Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The molecules are assembled via inter\u00admolecular N\u2014H\u22efO hydrogen-bonding inter\u00adactions into a three-dimensional network.In the title mononuclear complex, [Co(C DOI: 10.1107/S1600536808005722/ng2407Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak C\u2014H\u22efO contacts generate dimeric units via crystallographic inversion centres.In the title complex, [Sb(C DOI: 10.1107/S1600536808029632/si2109Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "I coordination polymer, [Cu2Cl2(C30H28N6)]n, was obtained by reaction of CuCl2\u00b72H2O and 1,4-bis\u00ad[1-(3-pyridyl\u00admeth\u00adyl)-1H-benzimidazol-2-yl]butane. Each CuI cation is three-coordinated by a ClN2 donor set. The anion acts as a tetra\u00addentate ligand, linking CuI centres into a polymeric chain.The title Cu DOI: 10.1107/S1600536808008696/bt2684Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The trans-N2S4 donor set defines a distorted octa\u00adhedral geometry.In the title complex, [Ni(C DOI: 10.1107/S1600536809050223/tk2572Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Differences in packing of the heterocyclic cores results in a different structure compared with earlier investigated chloride and bromide analogues.The structure of the title ionic copper(II) compound, (C DOI: 10.1107/S1600536808023039/dn2367Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It contains two stereogenic C atoms with R chirality and thus it is the enatiomerically pure R,R-diastereomer. There is an intra\u00admolecular O\u2014H\u22efN hydrogen bond.The mol\u00adecule of the title compound, C DOI: 10.1107/S1600536809039671/dn2493Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination of Cu(I) is slightly distorted tetrahedral.The title compound, [CuBr(C DOI: 10.1107/S1600536808012439/dn2345Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The \u03b2-octa\u00admolybdate anions are linked to the ammonium cations via N\u2014H\u22efO hydrogen bonding involving terminal oxide groups and to the tetra\u00adethyl\u00adammonium cations via weak C\u2014H\u22efO inter\u00adactions.The structure of the title compound, NH DOI: 10.1107/S1600536808004182/bt2676Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex mol\u00adecules are linked into a polymeric chain by bridging nitrate anions, forming axial Cu\u2014O bonds of 2.535\u2005(6) and 2.676\u2005(7)\u2005\u00c5, completing a distorted octa\u00adhedral coordination geometry. The NH groups of the ligand form hydrogen bonds to the nitrate anions.In the title compound, [Cu(C DOI: 10.1107/S1600536808021880/bi2290Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All three bidentate ligands have coordinating ring systems that are almost coplanar [inter\u00adplanar angles = 1.7\u2005(1)\u20133.8\u2005(2)\u00b0]. The vinyl\u00adbenzyl group is disordered over two positions with occupations of 0.653\u2005(4) and 0.347\u2005(4). The methanol solvent mol\u00adecule is involved in a classical O\u2014H\u22efN hydrogen bond to a triazole N atom.In the title compound, [Ir(C DOI: 10.1107/S1600536809052726/tk2595Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The protonated imine N atoms are involved in an intra\u00admolecular hydrogen bond with the respective phenoxide group. The Ce(III) ion exhibits a coordination number of nine.The asymmetric unit of the title compound, [Ce(NCS) DOI: 10.1107/S1600536809016808/at2767Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two benzene rings are almost perpendicular to each other, forming a dihedral angle of 89.8\u2005(6)\u00b0. In the crystal, mol\u00adecules are linked into an extended one-dimensional chain structure via inter\u00admolecular O\u2014H\u22efO hydrogen bonds.The title compound, C DOI: 10.1107/S1600536809023071/at2819Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The isophthalate ligands bridge the metal ions to form polymeric zigzag chains extending along the b axis. Weak C\u2014H\u22efO inter\u00adactions contribute to the crystal packing stability.In the title compound, [Co(C DOI: 10.1107/S1600536808030778/rz2249Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three of the water molecules bridge the metal ions and an intra\u00admolecular O\u2014H\u22efO hydrogen bond helps to establish the conformation. In the crystal, the component species inter\u00adact by way of O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds.In the title compound, [Na DOI: 10.1107/S1600536809055512/hb5297Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the dihedral angle between the two aromatic rings is 16.14\u2005(12)\u00b0. The molecules are connected via N\u2014H\u22efO hydrogen bonding into chains, which extend in the direction of the b axis. The structure determination of the title compound, C DOI: 10.1107/S1600536808022526/nc2110Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both Sn centres exhibit similar distorted trigonal\u2013bipyramidal [C3SnO2] coordination, with the O atoms of the carboyxlate ligands in trans positions.The title compound, [Sn(C DOI: 10.1107/S160053680802028X/wm2181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry of the ZnII ion is slightly distorted square-planar, formed by two N atoms and two O atoms from the L ligand.The title compound, [Zn(C DOI: 10.1107/S1600536809038616/hg2565Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In each mol\u00adecule, the central NiII atom has a square-planar environment, formed by the tridentate hydrazone and the monodentate pyridine ligands, with the N atoms in a trans arrangement about the NiII atom.The asymmetric unit of title complex, [Ni(C DOI: 10.1107/S1600536809028207/rk2149Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, weak bifurcated C\u2014H\u22efO hydrogen bonds involving the carbonyl O atoms as acceptors result in R 2 2(7) ring motifs.In the title compound, C DOI: 10.1107/S1600536810005404/lh2990Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These hydrogen bonds appear to complement the Coulombic inter\u00adaction and help to stabilize the structure further.The structure of title compound, C DOI: 10.1107/S1600536809034928/bx2233Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Nd3+ atom is nine-coordinated by two O atoms from the bidentate dbm ligand, three N atoms from the tridentate altpy ligand and four O atoms from two nitrate anions that act as bidentate ligands and occupy mutually trans sites in a distorted monocapped square-anti\u00adprismatic geometry.The title complex, [Nd(C DOI: 10.1107/S160053680905185X/sj2697Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnO4NC2 centre has a distorted penta\u00adgonal\u2013bipyramidal geometry with the C atoms in the axial positions.The title compound, [Sn(CH DOI: 10.1107/S1600536807067165/hb2677Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The fully deprotonated PDC anion acts a \u03bc3-bridging ligand, establishing a chain structure along the a axis. These polymeric chains are connected into a three-dimensional framework via several inter\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title coordination polymer, {[Mn(C DOI: 10.1107/S1600536808029413/sg2261Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each independent halogen site is occupied by bromine and chlorine anions in an approximate 3:1 ratio. The pyridinium cation forms a hydrogen bond to only one of the halogen atoms.The tin atom in the substituted ammonium stannate(IV), (C DOI: 10.1107/S1600536809016687/bt2945Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by water\u2013anion O\u2014H\u22efO hydrogen bonds. An intra\u00admolecular O\u2014H\u22efN hydrogen bond occurs in the anion.In the cation of the title compound, [Co(H DOI: 10.1107/S1600536808009422/at2558Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the mol\u00adecules into layers parallel to the bc plane.In the title compound, [CdBr DOI: 10.1107/S1600536809007028/cv2525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All intramolecular distances and angles are similar for the two structures. This applies also for the intermolecular forces, consisting of O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 interactions [with centroid\u2013centroid distances of 3.428\u2005(2) and 3.579\u2005(2)\u2005\u00c5], that lead to a cohesion of the structure.The title compound, (C DOI: 10.1107/S1600536809022053/pv2161Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The main geometric parameters are Pt\u2014N = 1.960\u2005(5)\u2005\u00c5, and Pt\u2014Cl = 2.3177\u2005(12) and 2.3196\u2005(12)\u2005\u00c5. The N\u00a0C bond is a typical triple bond [1.137\u2005(7)\u2005\u00c5]. The Pt\u2014N\u00a0C\u2014C unit is almost linear, with Pt\u2014N\u2014C and N\u2014C\u2014C angles of 174.6\u2005(4) and 177.1\u2005(6)\u00b0, respectively.In the title compound, [PtCl DOI: 10.1107/S1600536809016535/pv2142Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The K\u22efO distances range from 2.8416\u2005(8) to 3.0025\u2005(8)\u2005\u00c5, and the two K\u22efN distances are 2.7441\u2005(11) and 2.7654\u2005(11)\u2005\u00c5. The K cation is displaced by 0.8437\u2005(4)\u2005\u00c5 from the best plane through the six O atoms. The latter plane is almost perpendicular to the plane of the pyrazolate ring [dihedral angle 83.93\u2005(3)\u00b0].The asymmetric unit of the title compound, [K(C DOI: 10.1107/S1600536808043237/rz2281Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other Sn atom has a bent R 2Sn skeleton [C\u2014Sn\u2014C = 144.0\u2005(1)\u00b0], but the geometry is best regarded as being a trans-C2SnO4 octa\u00adhedron as the Sn\u2013O(single bond) inter\u00adaction is shorter [Sn\u2014O = 2.674\u2005(1)\u2005\u00c5].In the centrosymmetric tetra\u00adnuclear title compound, [Sn DOI: 10.1107/S1600536808023787/tk2287Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Acta Cr DOI: 10.1107/S1600536810006306/hy2284Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atoms, which lie on inversion centres, are linked via terephthalate ligands to form a chain structure along [101]. The structure is stabilized by three intra\u00admolecular and one inter\u00admolecular N\u2014H\u22efO hydrogen bonds.In the title compound, [Ni(C DOI: 10.1107/S160053680803314X/pv2108Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine and benzene rings is 15.15\u2005(13)\u00b0.In the title compound, [ZnI DOI: 10.1107/S1600536808020680/rz2225Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The compound crystallizes with one CH2Cl2 mol\u00adecule per asymmetric unit. The benzyl\u00adamine ligand and the ReI centre form a non-planar six-membered chelate ring.In the crystal structure of the title compound, [ReCl(C DOI: 10.1107/S160053680706802X/zl2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO hydrogen-bonding inter\u00adactions between the cationic complex and 3-thienylacetate anions form a three-dimensional network architecture. The two 3-thienylacetate anions are disordered, with occupancy ratios of circa 0.774\u2005(1):0.226\u2005(1) and ca 0.753\u2005(5):0.247\u2005(5).In the title complex, [Ni(C DOI: 10.1107/S1600536808006363/sg2218Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Tb atoms are linked by three bridging naphthalene-1-acetate ligands into a chain parallel to the b axis. Further stabilization of the structure is accomplished by non-classical C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 interactions.In title compound, [Tb(C DOI: 10.1107/S1600536808036155/at2670Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the cation, anion and free N-heterocycle mol\u00adecules are linked by N\u2014H\u22efN, N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.In the title compound, [Cd(C DOI: 10.1107/S1600536809048387/hb5230Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "IV atom of the title compound, [Sn(C4H9)2(C13H14ClNO3)], adopts a distorted SnNC2O2 trigonal-bipyramidal geometry with a mean Sn\u2014C distance of 2.105\u2005\u00c5 and with Sn\u2014O = 2.107\u2005\u00c5, and forms five- and six-membered chelate rings with the tridentate ligand. One butyl group is disordered over two positions with site occupancies of 0.65\u2005(1):0.35\u2005(1).The Sn DOI: 10.1107/S1600536809039245/hg2563Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The molecules are linked by intermolecular O\u2014H\u22efS and O\u2014H\u22efN hydrogen bonds, forming a three- dimensional crystal structure. Intramolecular C\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds are also present.In the title complex, [Co(NCS) DOI: 10.1107/S160053680802357X/bh2177Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A two-dimensional supra\u00admolecular architecture is formed via N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title compound, [Mn(C DOI: 10.1107/S1600536808029073/bx2177Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond distances in the coordinated i-mnt ligands indicate some delocalization of the \u03c0-system.In the title compound, (C DOI: 10.1107/S1600536808037616/pk2131Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two halves of the mol\u00adecule are related by a crystallographic mirror plane. Delocalization through the Zr\u2014O\u2014C=W unit is indicated by a short Zr\u2014O distance and a nearly linear Zr\u2014O\u2014C angle.The title compound, [ZrW(C DOI: 10.1107/S1600536808028006/om2260Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the title compound, C DOI: 10.1107/S1600536808025300/fj2138Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the linking C\u2014C=C\u2014C plane and the phenyl and benzene rings are 11.27\u2005(5) and 4.20\u2005(5)\u00b0, respectively.In the title compound, C DOI: 10.1107/S1600536809040227/hb5119Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the en ligands surrrounding the Ni2+ ion have disordered C atoms, while the third exhibits extensive weak N\u2014H\u22efI inter\u00adactions with the two iodide ions that extend throughout the crystalline lattice, producing an infinite network along (011).The title compound, [Ni(C DOI: 10.1107/S1600536809054580/pb2013Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent stacked mol\u00adecules exhibit a carbon\u00adyl\u2013carbonyl inter\u00adaction [3.295\u2005(2)\u2005\u00c5]. The O atom of the methyl\u00adsulfinyl group is disordered over two positions with site-occupancy factors of 0.9 and 0.1.Mol\u00adecules of title compound, C DOI: 10.1107/S1600536808034466/ng2503Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The triazolate ligand bridges the CoII atoms, generating a two-dimensional net parallel to the ab plane, in which both the CoII atom and the triazolate ligand act as three-connected nodes. Two weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds connect the nets.In the title compound, [Co(C DOI: 10.1107/S1600536808043596/is2370Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are long-range inter\u00adactions between the Cu atom and S [3.151\u2005(5)\u2005\u00c5] and Br [3.929\u2005(5)\u2005\u00c5] atoms above and below the square plane.In the title mononuclear Schiff base copper(II) complex, [Cu(C DOI: 10.1107/S1600536808010404/om2226Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "C\u2014H\u22efO hydrogen bonds connect the complex mol\u00adecules into a three-dimensional supra\u00admolecular structure.In the title compound, [Zn(C DOI: 10.1107/S1600536808009483/hy2125Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The GdIII ion is ten-coordinate being bound to ten O atoms, four from the Schiff base ligand and six from three bidentate nitrate anions. The CuII and GdIII ions are linked by two phenolate O atoms of the Schiff base ligand, with a separation of 3.5185\u2005(9)\u2005\u00c5.In the title dinuclear complex, [CuGd(C DOI: 10.1107/S1600536810014716/hy2285Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The triiodide anions are located in general positions, whereas the cations are located on centres of inversion.The title compound, [Sr(C DOI: 10.1107/S1600536808012373/nc2102Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure involves intra\u00admolecular O\u2014H\u22efN and O\u2014H\u22efO and inter\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title mononuclear complex, [Mn(C DOI: 10.1107/S160053680901681X/hy2192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An eight-membered ring comprising the two Ni atoms, four P atoms and the CH2 groups of the two dppm ligands is thus formed. The methyl group in one of the solvent toluene mol\u00adecules is disordered over two positions with equal occupancies.In the title compound, [Ni DOI: 10.1107/S1600536808002110/fj2093Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure displays a trans configuration with respect to the imine C=N double bond. The N atom is also involved in an intra\u00admolecular O\u2014H\u2014N hydrogen bond, which stabilizes the configuration of the compound.The title compound, C DOI: 10.1107/S1600536808031383/gw2049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810015758/hy2302Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tetra\u00adbutoxy\u00adborate anion provides the bridging to form one-dimensional polymers running along [001], just like those found for the tetra\u00adethoxy\u00adborate structure. The two but\u00adoxy \u2018tail\u2019 atoms are disordered over two conformations in a 0.887\u2005(9):0.113\u2005(9) ratio.The title compound, [Na(C DOI: 10.1107/S1600536809012100/bq2133Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three dinucleating O,N:N\u2032,O\u2032-donor ligands provide three diazine (=N\u2014N=) bridges between the metal ions, yielding a binuclear triple helicate structure with crystallographic C 2 symmetry, the rotation axis bis\u00adecting one N\u2014N bond.In the title binuclear iron(III) complex, [Fe DOI: 10.1107/S1600536808027438/cf2210Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In addition, each AgI atom is coordin\u00adated by one chelating 2,2\u2032-bipyridine ligand, giving a distorted trigonal coordination environment.The title complex, [Ag DOI: 10.1107/S1600536809014871/at2766Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand bridges two AgI atoms, forming a polymeric zigzag chain propagating parallel to [001]. The uncoordinated water mol\u00adecule is involved in hydrogen bonds with sulfonate O atoms.In the title compound, {[Ag(C DOI: 10.1107/S1600536810012596/hy2295Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent CuII atoms are linked by the bridging bidentate thia\u00addiazole ligands, which are situated about inversion centers. This leads to the formation of a three-dimensional network structure.In the title compound, {[Cu(C DOI: 10.1107/S1600536809005625/su2097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O atom of the uncoordinated water mol\u00adecule lies on a crystallographic twofold axis. In the crystal, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds help to establish the packing.In the title compound, [Mn(C DOI: 10.1107/S1600536809020200/hb2977Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoIII ion is hexa\u00adcoordinated by three N and three O atoms from three bidentate Schiff base ligands in an octa\u00adhedral geometry.The title compound, [Co(C DOI: 10.1107/S1600536808014074/cf2198Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the substituted benzonitrile rings and the central thia\u00addiazole ring are 28.29\u2005(10) and 78.83\u2005(6)\u00b0, and the dihedral angle between the two benzonitrile rings is 72.89\u2005(7)\u00b0.The title mol\u00adecule, C DOI: 10.1107/S1600536808022848/fl2207Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by two inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Fe DOI: 10.1107/S1600536808039834/lx2068Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, centrosymmetric dimers are formed though O\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds; \u03c0\u2013\u03c0 stacking inter\u00adactions, with a centroid\u2013centroid distance of 3.796\u2005(2)\u2005\u00c5, are also found.In the title compound, [Ni(C DOI: 10.1107/S1600536808022939/lh2644Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atom is in a distorted trans-C3SnO2 trigonal-bipyramidal geometry. The presence of two bulky tert-butyl groups on the benzene ring prevents any hydrogen-bonding inter\u00adactions involving the hydroxyl substituents.The title compound, [Sn(C DOI: 10.1107/S1600536809023150/tk2461Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Hydrogen bonds of the O\u2014H\u22efO and O\u2014H\u22efN types result in a three-dimensional supra\u00admolecular network.In the title compound, [Co(C DOI: 10.1107/S1600536809019187/ng2582Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809027044/ng2598Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is a \u03c0\u2013\u03c0 contact between the pyridine and phenyl rings [centroid-to-centroid distance = 4.2387\u2005(4)\u2005\u00c5].In the mol\u00adecule of the title compound, [HgI DOI: 10.1107/S160053680803081X/hk2540Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four N atoms from the two biimidizole ligands lie in the equatorial plane and the two aqua O atoms lie in the axial sites. The biphenyl\u00adtetra\u00adcarboxyl\u00adate anion also lies on an inversion centre. The ZnII complex cation and the anion are held together by N\u2014H\u22efO hydrogen bonds, forming a zigzag chain along [2via O\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(C DOI: 10.1107/S1600536809008022/is2385Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The atomic arrangement consists of an infinite long-chain polyphosphate organization. Chains, with a period of four PO4 tetra\u00adhedra, run along the a-axis direction. Two other polymorphs of this phosphate are known, in space groups P21/n and C2/c.The title compound, potassium yttrium polyphosphate, KY(PO DOI: 10.1107/S1600536808013925/br2073Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Co(C8H5O3)2(H2O)4]\u00b74H2O, which exists in an all-trans octa\u00adhedral coordination geometry, lies on a center of inversion. The coordinated and uncoordinated water mol\u00adecules engage in extensive hydrogen-bonding inter\u00adactions, forming a three-dimensional hydrogen-bonded network.The Co DOI: 10.1107/S1600536808003140/bt2668Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Tetra\u00adchloridoferrate(III) anions lie between these chains, accepting N\u2014H\u22efCl hydrogen bonds from both H atoms of the picolinamidium \u2013NH2 group.The title compound, (C DOI: 10.1107/S1600536809040148/zq2012Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polymeric three-dimensional structure is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title coordination polymer, [La(C DOI: 10.1107/S1600536809020479/rz2328Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One hexa\u00adfluorido\u00adphosphate anion is rotationally disordered between two orientations with an approximate ratio of 2:1. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efF and C\u2014H\u22efN inter\u00adactions.In the title compound, [Hg(C DOI: 10.1107/S1600536809001743/cv2505Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure forms a one-dimensional chain through weak coordination bonds and a three-dimensional network through O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title complex, [Cu(C DOI: 10.1107/S1600536808007939/rt2016Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These aggregate into the three-dimensional structure via N\u2014H\u22efO hydrogen-bonding mechanisms imparted by 4,4\u2032-imino\u00addipyridinium dications situated between the layers.In the title salt, {(C DOI: 10.1107/S1600536808038348/tk2326Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atom lies on a crystallographic twofold axis and is coordinated by four N atoms and two O atoms from two deprotonated tridentate 2-(2-pyridylmethyl\u00adeneamino)benzene\u00adsulfonate ligands in a slightly distorted octa\u00adhedral environment. There are extensive hydrogen bonds of the type O\u2014H\u22efO between the uncoordinated water molecules and the sulfonate O atoms, through which the complex forms a layered structure parallel to (001).The title complex, [Cd(Paba) DOI: 10.1107/S1600536808034387/pk2123Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the metal centre is coordinated by six N atoms from three 1,10-phenanthroline ligands in a distorted octa\u00adhedral geometry. The [Cr2O7]2\u2212 anion exhibits a staggered conformation. The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions, evidenced by short distances of 3.531\u2005(5)\u2005\u00c5 between the centroids of aromatic rings.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810000802/cv2680Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The solvent mol\u00adecule is disordered about a site of symmetry 3, so that the ratio of phosphine to solvent is 8:1. The P atom adopts a pyramidal coordination geometry.The title deuterated tripodal phosphine, C DOI: 10.1107/S1600536808010817/tk2251Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each mip dianion acts as a tetra\u00addentate ligand connecting three Mn ions. The crystal packing exhibits \u03c0\u2013\u03c0 inter\u00adactions [3.599\u2005(2)\u20133.755\u2005(2)\u2005\u00c5] between the centroids of the six-membered rings of neighbouring 1,10-phenanthroline ligands.In the title coupound, [Mn(C DOI: 10.1107/S1600536808036362/cv2471Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MgII center, which sits on an inversion center, is coordinated by six aqua ligands and exhibits a slightly distorted octa\u00adhedral conformation. The asymmetric unit consists of an [N-(4-meth\u00adoxy-2-oxidobenzyl\u00adidene)glycyl\u00adglycinato]cuprate(II) anion, one half of an [Mg(H2O)6]2+ cation and three free water mol\u00adecules. The cations and anions form columns by O\u2014H\u22efO hydrogen bonds.In the title complex, [Mg(H DOI: 10.1107/S1600536809040872/zq2010Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The L ligands chelate the LaIII ion with strong La\u2014O(deprotonated phenolic) bonds [2.435\u2005(3)\u20132.464\u2005(3)\u2005\u00c5] and significantly longer La\u2014O(meth\u00adoxy) bonds [2.801\u2005(3)\u20132.831\u2005(3)\u2005\u00c5]. The La\u2014N bond lengths range from 2.541\u2005(4) to 2.605\u2005(4)\u2005\u00c5.In the title compound, [La(NCS) DOI: 10.1107/S1600536809049113/pv2228Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810005829/ci5035Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thiol\u00adate groups function as bridges between the MoII atoms, which adopt a quasi-octa\u00adhedral geometry. In the octa\u00adhedral environment the two ligating S atoms are in a cis arrangement.The asymmetric unit of the title compound, [Mo DOI: 10.1107/S1600536808010751/ci2579Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by intra- and inter\u00admolecular N\u2014H\u22efI and N\u2014H\u22efS inter\u00adactions.The coordination geometry of the Cu atom in the title compound, [CuI(C DOI: 10.1107/S1600536808019119/hg2408Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two rings are almost parallel and are eclipsed and ordered. The conjugated substituent is slightly twisted with respect to the cyclo\u00adpenta\u00addiene ring. The crystal structure contains four inter\u00admolecular C\u2014H\u22efO hydrogen-bonds in the range 3.324\u2005(3)\u20133.539\u2005(3)\u2005\u00c5 and one \u03c0(aryl ring)\u2013\u03c0 (Cp ring) stacking inter\u00adaction with a ring\u2013centroid distance of 3.894\u2005(2)\u2005\u00c5.In the title compound, [Fe(C DOI: 10.1107/S1600536808027815/om2257Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both CoIII ions are bonded to two chelating ethylenediamine ligands, one benzylamine molecule and one chloride ion. The crystal packing is through N\u2014H\u22efO, N\u2014H\u22efCl and O\u2014H\u22efCl inter\u00adactions.In the title compound, [CoCl(C DOI: 10.1107/S1600536809034849/bt5046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is therefore a potential starting material for the preperation of the corresponding alkyne. In the crystal, the alkenyl unit and the cyclo\u00adpenta\u00addienide ring are almost parallel, with an angle between the best planes of only 10.6\u2005(4)\u00b0.The title compound, [Fe(C DOI: 10.1107/S1600536809006102/zl2181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22ef S and C\u2014H\u22efI inter\u00adactions between cations and anions are present. Two C atoms of a tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.In the anion of the title compound, (C DOI: 10.1107/S1600536808014888/sg2247Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII ions are linked by double chlorine bridges alternating between one CdCl4(CH3OH)2 and two CdCl4(C15H15NO2) octa\u00adhedral coordination units. Additional intrachain N\u2014H\u22efO and O\u2014H\u22efCl hydrogen-bond interactions stabilize this arrangement.The structure of the title compound, [Cd DOI: 10.1107/S1600536808033527/at2645Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic rings is 21.23\u2005(9)\u00b0. The ethyl group is disordered over two orientations with occupancies of 0.598\u2005(6) and 0.402\u2005(6). In the crystal, the mol\u00adecules are linked into chains along the b axis by C\u2014H\u22ef\u03c0 inter\u00adactions.The mol\u00adecule of the title compound, C DOI: 10.1107/S1600536809055573/ci5005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains \u2018Zr2Ni2Sb5\u2019 and \u2018Zr4Sb9\u2019 fragments and might be described as a new ZrSb2 derivative with a high Sb content.Single crystals of trizirconium nickel hepta\u00adanti\u00admonide were synthesized from the constituent elements by arc-melting. The compound crystallizes in a unique structure type and belongs to the family of two-layer structures. All crystallographically unique atoms are located at sites with DOI: 10.1107/S1600536808020278/wm2182Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits \u03c0\u2013\u03c0 stacking inter\u00adactions between the 2,6-dipyrazol-1-ylpyridine ligands of neighbouring mol\u00adecules.In the title complex, [ZnCl DOI: 10.1107/S1600536808031152/cv2454Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ ion is N2O2 coordinated by the Schiff base ligand, leading to a slightly distorted square-planar environment. The Na atom is chelated by the four O atoms of the Schiff base ligand and is coordinated by the O atoms of a methanol ligand and a perchlorate anion. The perchlorate ion is disordered over two sites with occupancies 0.723\u2005(12):0.277\u2005(12).The mol\u00adecule of the title compound, [NaNi(C DOI: 10.1107/S1600536809007776/hg2479Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efBr inter\u00adactions.In the title compound, [PdBr DOI: 10.1107/S1600536809001986/cv2489Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is coordinated in a distorted tetra\u00adhedral environment by four O atoms from four 2,4-dichloro\u00adphenoxy\u00adacetate ligands. Each ligand bridges two ZnII atoms, forming a polymeric chain along the a axis. Adjacent chains are connected via C\u2014H\u22efCl hydrogen bonds.The title polymeric compound, [Zn(C DOI: 10.1107/S1600536810015977/ci5084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is coordinated by the N,N-bidentate 6,6\u2032-dimethyl-2,2\u2032-bipyridine ligand and two iodide ions, resulting in a distorted ZnN2I2 tetra\u00adhedral geometry for the metal. In the crystal, there are weak \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distance = 3.978\u2005(3)\u2005\u00c5].The complete mol\u00adecule of the title compound, [ZnI DOI: 10.1107/S1600536809043049/hb5152Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The twisted mol\u00adecules pack in parallel regions (ab plane) which then form a herringbone pattern along c.The racemic title compound, C DOI: 10.1107/S1600536808014803/bq2079Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions .In the title compound, [Co(C DOI: 10.1107/S1600536809027251/at2827Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [SnBr6]2\u2212 anion is located on an inversion center and forms a quasi-regular octa\u00adhedral arrangement. The crystal structure consists of two-dimensional supra\u00admolecular layers assembled via hydrogen-bonding inter\u00adactions of N\u2014H\u22efBr\u2014Sn . These layers are parallel to the bc plane and built up from anions inter\u00adacting extensively with the six surrounding cations.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808012129/bx2139Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular N\u2014H\u22efO hydrogen bonds occur. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efS hydrogen bonds, \u03c0\u2013\u03c0 inter\u00adactions with a distance of 3.904\u2005(7)\u2005\u00c5 between the centroids of the aromatic rings, and voids of 101\u2005\u00c53.In the title compound, [Nd(NCS) DOI: 10.1107/S1600536809053124/cv2653Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation, anion, the uncoordinated water mol\u00adecule and the THF solvent molecule are linked by hydrogen bonds into a three-dimensional network structure. The THF molecule is disordered with two sets of sites in a 0.58\u2005(1):0.42\u2005(2) ratio..In the title compound, [FeCl DOI: 10.1107/S1600536809023423/ng2597Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl group of the benzoic acid mol\u00adecule is disordered over two sites in a 0.563\u2005(17):0.437\u2005(17) ratio. In the title compound, [Ni(C DOI: 10.1107/S1600536809044705/hb5141Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiII atom is five-coordinated in a square-pyramidal geometry by the imine and pyridine N atoms of the Schiff base ligand, and by one terminal and two bridging Cl atoms. The Ni\u22efNi distance is 3.506\u2005(2)\u2005\u00c5. The O atom of the furan substituent in the ligand unit is not involved in coordination to the Ni atom.The title dinuclear nickel(II) complex, [Ni DOI: 10.1107/S1600536808015183/sj2503Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each nicotine mol\u00adecule is bonded to two Hg atoms, one through the pyrrolidine N atom and the other through the pyridine N atom, forming infinite zigzag polymeric chains. The coordin\u00adation around mercury is completed by two iodide ligands, resulting in a distorted tetra\u00adhedral arrangement.The title polymeric complex, [HgI DOI: 10.1107/S1600536808020904/hg2420Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The KI ion is coordinated by six O atoms of the crown ether and two bridging Cl atoms. The KI ion is displaced by 0.756\u2005(2)\u2005\u00c5 from the mean plane of the six O atoms of the crown ether. The mol\u00adecules are connected by weak C\u2014H\u22efO hydrogen bonds, forming an infinite two-dimensional network parallel to the (10In the title compound, [K DOI: 10.1107/S1600536810016648/is2544Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the unique cation, the dihedral angle between the benzene and pyridine rings is 7.1\u2005(2)\u2005\u00c5.In the title complex, (C DOI: 10.1107/S1600536809015360/lh2806Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, inter\u00admolecular N\u2014H\u22efI hydrogen bonds link cations and anions into a three-dimensional network.In the title compound, [Cd(dien) DOI: 10.1107/S1600536808008040/lh2585Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809031389/hb5029Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each MnIII atom is chelated by a tetra\u00addentate 2,2\u2032-diphenolate ligand and by the N atom of a thio\u00adcyanate anion, in a square-pyramidal arrangement. The complexes form centrosymmetric dimers, with an Mn\u2014O contact of 2.557\u2005(3)\u2005\u00c5 trans to each thio\u00adcyanate anion, completing a distorted octa\u00adhedral coordination geometry.The reported structure is a monoclinic polymorph of the title compound, [Mn DOI: 10.1107/S1600536808003577/bi2278Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ions and water molecules are associated in the crystal structure by an extensive three-dimensional hydrogen-bonding network, which consists mainly of cation-to-anion N\u2014H\u22efO and anion-to-anion O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound (1\u2212) sesquihydrate], C DOI: 10.1107/S1600536808017522/rz2220Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distance = 3.7857\u2005(17)\u2005\u00c5].In the title compound, [ZnCl DOI: 10.1107/S1600536809038215/hb5106Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The environment around the Ho atom can be described as a distorted bicapped square anti\u00adprism. Two phenanthroline ligands form a dihedral angle of 43.72\u2005(13)\u00b0. Short inter\u00admolecular distances between the centroids of the six-membered rings [3.6887\u2005(14)\u20133.8374\u2005(16)\u2005\u00c5] indicate the existence of \u03c0\u2013\u03c0 inter\u00adactions, which link the mol\u00adecules into stacks extended in the [10In the title compound, [Ho(NO DOI: 10.1107/S1600536808020655/cv2423Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry of the ZnII ion is distorted tetra\u00adhedral with the coordination sphere formed by two N atoms from the triazole rings of two symmetry-related btre ligands and two iodide ligands.In the title dinuclear complex, [Zn DOI: 10.1107/S1600536810014121/gk2262Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cysteine S atom of the dinuclear molybdenum complex anion coordinates to the zinc ion, which has a tetra\u00adhedral environment by the additional coordination of two water mol\u00adecules. The one-dimensional chains are connected to each other by hydrogen bonds. The Zn\u2014S(cysteine) distances [2.3599\u2005(6) and 2.3072\u2005(6)\u2005\u00c5] are close to the value in ZnS (2.35\u2005\u00c5). The distances and angles within the complex are very close to those reported for the sodium and potassium di-\u03bc-sulfide species.The title compound, [Mo DOI: 10.1107/S1600536808007757/wk2080Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Zn atom assumes a distorted tetra\u00adhedral ZnN2Cl2 coordination geometry. There are weak \u03c0\u2013\u03c0 stacking inter\u00adactions between adjacent 1,10-phenanthroline rings [centroid\u2013centroid distances = 3.6356\u2005(18) and 3.6353\u2005(18)\u2005\u00c5].There are two molecules of the title complex, [ZnCl DOI: 10.1107/S160053680801180X/ww2117Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, an N\u2014H\u22efO hydrogen bond links the complex to the dimethyl\u00adformamide solvent mol\u00adecule.In the title compound, [Ni(C DOI: 10.1107/S1600536808038580/hb2849Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atom is four-coordinated in a trans-CuN2O2 square-planar geometry by two phenolate O and two oxime N atoms from two symmetry-related N,O-bidentate (E)-4-bromo-2-(ethoxy\u00adimino\u00admeth\u00adyl)phenolate oxime-type ligands. An inter\u00adesting feature of the crystal structure is the centrosymmetric inter\u00admolecular Cu\u22efO inter\u00adaction [3.382\u2005(1)\u2005\u00c5], which establishes an infinite chain structure along the b axis.The title compound, [Cu(C DOI: 10.1107/S160053680904433X/om2289Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polymer layers are linked into a three-dimensional framework by the rigid oxalate ligands. The oxalate ions are located on a center of inversion. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds help to stabilize the crystal structure.In the title compound, [Y DOI: 10.1107/S1600536809032085/jj2005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Another N-heterocycle present is not coordinated to the metal atom but inter\u00adacts with the chain through N\u2014H\u22efN and N\u2014H\u22efCl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511\u2005(4):0.289\u2005(5):0.200\u2005(5) ratio.In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl DOI: 10.1107/S1600536809052635/ci2985Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other metal atom, which lies on a special position (of 3 site symmetry), is connected to three N atoms and three O atoms. One hexa\u00adfluroridosilicate anion lies on a site of 3 symmetry and the other lies on a site of The trinuclear cation of the title compound, [Ni DOI: 10.1107/S1600536808013329/si2084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two toluene mol\u00adecules per asymmetric unit with site-occupation factors of 0.5 are observed. One of them forces two of the CO ligands to enclose a wider C\u2014Ru\u2014C bond angle [127.5\u2005(3)\u00b0] than in the solvent-free crystal structure of [Ru(PCy3)2(CO)3] (Cy is cyclo\u00adhexyl).The title compound, [Ru(C DOI: 10.1107/S1600536808034211/hb2822Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An extensive net of N\u2014H\u22efO hydrogen bonds between the cations and anions contribute to the crystal packing.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810012304/wm2318Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PtII atom, coordinated by two N atoms of ammine and two O atoms of the carboxyl\u00adate and oxido groups of the glycolate ligand, is in a square-planar environment. In the crystal structure, mol\u00adecules are connected by inter\u00admolecular N\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.The reaction of DOI: 10.1107/S1600536809049757/rn2056Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "It is six-coordinated by two O atoms from one 5,5\u2032-dicarboxy\u00adbiphenyl-2,2\u2032-dicarboxyl\u00adate anion and four N atoms from two 1,10-phenanthroline mol\u00adecules in a distorted octa\u00adhedral environment. The crystal packing is stabilized by O\u2014H\u22efO hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S160053680801012X/bt2694Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two benzene rings is 50.92\u2005(14)\u00b0. The dihedral angles between the two benzene rings and the naphthalene ring system are 70.18\u2005(11) and 74.98\u2005(12)\u00b0. A weak inter\u00admolecular C\u2014H\u22efO hydrogen bond exists between the methyl group and the carbonyl O atom.In the title compound, C DOI: 10.1107/S1600536810001819/is2516Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4,4\u2032-bipyridine ligands bridge CoII ions into a one-dimensional chain structure. In the crystal structure, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link cations and anions into a three-dimensional network. The dianions are completely disordered about an inversion center.In the title complex, {[Co(C DOI: 10.1107/S1600536809021552/lh2836Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title compound adopts a framework structure and is composed of distorted [ScO6] octa\u00adhedra, [LiO4] tetra\u00adhedra, [LiO4] recta\u00adngles and isolated [BO3] triangles. Except for the Sc and one Li atom (both on inversion centres), all atoms are in general positions.Single crystals of the title compound, Li DOI: 10.1107/S1600536808014797/wm2180Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efN hydrogen bonds. In addition, there are relatively close contacts between the O atoms of the perchlorate anion and symmetry-related pyridine rings , and between the terminal N atom of the dicyanamide ligand and pyridine rings [N\u22efCg = 3.381\u2005(4)\u20133.761\u2005(3)\u2005\u00c5]. The central N atom of the dicyanamide ligand is disordered over two sites in an approximately 0.6:0.4 ratio.In the title complex, [Zn(C DOI: 10.1107/S1600536808004741/lh2594Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two NiII atoms are linked to each other through the bridging O atoms, forming a dimer. Adjacent dimers are connected through the coordination of the sulfonate O atom into a two-dimensional coordination network parallel to (010). Hydrogen bonds between the coordinated water mol\u00adecules and the uncoordinated O atoms of the sulfonate groups result in the construction of a three-dimensional supra\u00admolecular structure.In title compound, [Ni(C DOI: 10.1107/S1600536809026105/hy2203Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The amino group forms a hydrogen bond to the pyrazine N-4 atom of an adjacent mol\u00adecule, forming a chain motif.The two aromatic systems in the title compound, C DOI: 10.1107/S160053680803729X/sg2277Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NCS\u2212 anions are trans and four N atoms from the 1-ethyl\u00adimidazole ligands define the equatorial plane. The mean Cd\u2014N(Eim) and Cd\u2014N(NCS) distances are 2.334\u2005(4) and 2.379\u2005(5)\u2005\u00c5, respectively. Weak C\u2014H\u22efN inter\u00adactions contribute to the crystal packing stability.The structure of the title compound, [Cd(NCS) DOI: 10.1107/S1600536810004964/hg2644Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridg\u00ading pmta ligands, with a dihedral angle between the triazole and pyridyl rings of 71.86\u2005(8)\u00b0, link the Cd atoms into a 44 sheet parallel to (In the title coordination polymer, [CdCl DOI: 10.1107/S1600536810036251/hy2349Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two short C\u2014H\u22efO contacts occur within the ligand and two weak inter\u00admolecular C\u2014H\u22efF bonds may help to establish the packing.In the title compound, [Cu(C DOI: 10.1107/S1600536809020364/hb2975Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands bridge CdII ions, forming one-dimensional chains along [001], which are connected by N\u2014H\u22efN and N\u2014H\u22efS hydrogen bonds into a three-dimensional network.In the title compound, DOI: 10.1107/S160053680902371X/pk2170Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808004248/su2044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MgII centre is located on a crystallographic twofold rotation axis. The crystal structure is stabilized by N\u2014H\u22efBr hydrogen bonds. The N atom and H atoms of one dimethylamine ligand are disordered over two equally occupied positions.The Mg centre in the title compound, [MgBr DOI: 10.1107/S1600536809024702/at2830Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atoms are bridged by the pySO3 ligands to form a one-dimensional chain. The chains are further connected into a three-dimensional architecture via hydrogen bonds.In the title polymeric complex, [Mn(C DOI: 10.1107/S1600536808012282/gk2137Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, one of the imino N atoms is protonated and donates a hydrogen bond to the O atom of the adjacent chloro\u00adphenyl ring. The other imino N atom acts as a hydrogen-bond acceptor from a phenolate O atom.In the title ion-pair, C DOI: 10.1107/S1600536809002943/bt2856Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is a \u03c0\u2013\u03c0 contact between pyridine rings of adjacent molecules [centroid\u2013centroid distance = 3.723\u2005(5)\u2005\u00c5].In the mol\u00adecule of the title compound, [HgI DOI: 10.1107/S160053680802953X/hk2531Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by inter\u00admolecular hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions .In the title mononuclear complex, [Mn(C DOI: 10.1107/S160053680800994X/bg2175Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The copper(II) ion is four-coordin\u00adated by two N atoms from bipy and two O atoms from two tbip ligands, leading to a distorted tetrahedral coordination. Each tbip ligand adopts a bis-monodentate coordination mode to connect two symmetry-related copper(II) ions, so forming a zigzag polymer chain parallel to [001]. The tert-butyl methyl groups are disordered over two positions with occupancies of 0.506\u2005(6)/0.494\u2005(6)In the crystal structure of the title polymeric compound, [Cu(C DOI: 10.1107/S1600536808035484/su2072Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is located on a twofold rotation axis and has a slightly distorted octa\u00adhedral coordination made up of four N atoms of the pyridine ligands and two O atoms of trichloro\u00adacetate anions. The mol\u00adecular structure and packing are stabilized by intra- and inter\u00admolecular C\u2014H\u22efO hydrogen-bonding inter\u00adactions.The title compound, [Ni(C DOI: 10.1107/S1600536809030025/at2853Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry for Cd is distorted octa\u00adhedral based on a cis-N2S4 donor set. In the crystal structure, mol\u00adecules are connected into a supra\u00admolecular chain aligned along the a direction via C\u2014H\u22efS and C\u2014H\u22ef\u03c0 contacts, and by \u03c0\u2013\u03c0 contacts [centroid-to-centroid distance 3.5708\u2005(15)\u2005\u00c5]. The n-propyl groups are each disordered, one equally over two sites and the other with a site-occupancy factor of 0.618\u2005(8) for the major component. The dinuclear centrosymmetric title compound, [Cd DOI: 10.1107/S1600536808025889/ng2485Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the dications and anions are ordered into columns running parallel to the c axis by contacts of the pro-ylidic CH2 groups with the Cl atom of one and an ortho-F atom of another anion. The space between the columns is occupied by CH2Cl2 solvent mol\u00adecules.The title compound, (C DOI: 10.1107/S1600536809045474/om2280Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carboxyl\u00adate groups function as bridges to two adjacent ZnII atoms, generating a layer motif. Adjacent layers are linked through the 4,4\u2032-bipyridine N-heterocycle, forming a three-dimensional network; the geometry of ZnII is square-pyramidal with the N atom of the N-heterocycle occupying the apical position. The N-heterocycle lies about a center of inversion and is disordered in a 1:1 ratio with respect to the C atoms bearing H atoms.The cyclo\u00adhexane-1,3-dicarboxyl\u00adate dianion in the title three-dimensional coordination polymer, [Zn DOI: 10.1107/S1600536809035168/tk2535Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure displays the classical O\u2014H\u22efO inter\u00admolecular hydrogen bonding typical for carboxylic acids forming dimers. Symmetry-related dimers are, in turn, linked through head-to-tail pairs of inter\u00admolecular N\u2014H\u22efO inter\u00adactions, giving rise to a zigzag chain along the c axis.The title compound, C DOI: 10.1107/S1600536808035721/lh2721Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co centre is in a distorted tetrahedral coordination by three N atoms of three different triazole ligands and one O atom of the 3,5-dinitrobenzoate anion.The title compound, [Co(C DOI: 10.1107/S160053680804155X/bt2826Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The daco ligand acts as an end-to-end bridging ligand and bridges adjacent HgII centers, forming a chain running along [001]. Weak C\u2014H\u22efCl hydrogen-bonding inter\u00adactions link the chains into a three-dimensional network. Comparison of the structural differences with previous findings suggests that the space between the two N donors, as well as the skeletal rigidity in N-heterocyclic linear ligands, may play an important role in the construction of such supra\u00admolecular networks.In the title coordination polymer, [Hg DOI: 10.1107/S1600536809043839/su2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Besides obvious differences between the original [Drew & Kay \u2005\u00c5]. N\u2014H\u22efOcarbon\u00adyl and N\u2014H\u22efOterminal hydrogen-bonding inter\u00adactions consolidate the crystal packing. During the synthesis, the originally employed l-cysteinate ligand has been converted to the l-cysteinate methyl ester ligand. Since this reaction does not take place without tin(IV) chloride, it is clear that tin(IV) chloride acts as a catalyst for the reaction.The structure of the title compound, [Mo Kay 1971. J. Chem DOI: 10.1107/S1600536810014625/wm2325Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polymer exhibits a two-dimensional layer structure. The layers are wave-like and parallel to the crystallographic ac plane; AgI ions are linked by the bctmb ligands and nitrate anions along the crystallographic a and c directions, respectively. In addition, the crystal structure is stabilized by C\u2014H\u22efO hydrogen bonds.The title compound, [Ag(NO DOI: 10.1107/S1600536809007910/lx2093Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional network is formed in the crystal structure through O\u2014H\u22efO, N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536809049769/hy2252Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "It is an example of a new type of \u03b2-diketiminate derivative that has not yet been characterized via solid-state methods. The complex crystallizes with a distorted square-planar geometry about the RhI atom (m symmetry). A weak inter\u00admolecular C\u2014H\u22efO contact is observed.The title compound, [Rh(C DOI: 10.1107/S1600536810000449/gw2073Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two benzene rings are individually planar and make a dihedral angle of 53.90\u00b0. The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions (centroid\u2013centroid distance = 3.962\u2005\u00c5).In the mol\u00adecule of the title compound, C DOI: 10.1107/S1600536809013415/rk2138Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810013759/zs2034Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cations, each ZnII ion adopts a distorted octa\u00adhedral coordination geometry, being chelated by two tridentate pht ligands. In the crystal, the cations, anions and water mol\u00adecules are connected via O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds into a three-dimensional network.The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536810038614/bt5358Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The monoclinic structure is isotypic with Pb2RhF7 and is built up of CrF6 3\u2212 octa\u00adhedra isolated from each other, inserted in a fluorite-related matrix of PbF6 distorted octa\u00adhedra, and PbF8 square anti\u00adprisms sharing edges and corners. The seventh F atom is \u2018independent\u2019, connected only to three Pb atoms within FPb3 triangles, sharing an edge and building an almost planar Pb4F2 unit, so that the formula can alternatively be written as Pb2F(CrF6).Single crystals of the title compound, Pb DOI: 10.1107/S1600536810011608/wm2317Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is also stabilized by intra-chain water\u2013carboxyl\u00adate and water\u2013nitro O\u2014H\u22efO hydrogen bonds.The title compound DOI: 10.1107/S1600536809030402/su2131Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by C\u2014H\u22efCl inter\u00adactions. There is inter\u00admolecular \u03c0\u2013\u03c0 stacking between adjacent phenanthroline ligands, with a centroid\u2013centroid distance of 3.151\u2005(3)\u2005\u00c5.In the crystal structure of the title complex, [Zn DOI: 10.1107/S1600536809014482/at2764Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted octa\u00adhedral CuII environment contains two planar trans-related N,N-chelating 2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole ligands in the equatorial plane and two monodentate nitrate anions, which are in weak inter\u00adaction with the Cu atom, in the axial positions. The two benzimidazole ligands have opposite configurations (R/S and S/R) and compound is a meso complex. In the crystal, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds generate an infinite three-dimensional network. One methylene group of the pyrrolidine ring is disordered over two position with a 0.56\u2005(3):0.44\u2005(3) occupancy.In the title compound, [Cu(C DOI: 10.1107/S160053680901808X/dn2443Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII metal ions are in a distorted octa\u00adhedral coordination environment formed by four N atoms from two chelating phen ligands and two O atoms from a bidentate sulfate ligand. The two chelating N2C2 groups are almost perpendicular to each other [dihedral angle = 80.06\u2005(8)\u00b0]. A twofold rotation axis passes through the Co and S atoms, and also through the central C atom of the propane-1,3-diol solvent mol\u00adecule. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds help to stabilize the structure.The title compound, [Co(SO DOI: 10.1107/S1600536810003478/zq2024Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the crystal structure of the title compound, C DOI: 10.1107/S1600536810035932/nc2196Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In these strained sandwich compounds, the angles between the planes of the two \u03c0-ligands are 15.4\u2005(2) and 16.4\u2005(2)\u00b0, with gallium in a distorted tetrahedral coordination environment.The title compound, [GaFe(C DOI: 10.1107/S1600536808005503/om2215Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted square-pyramidal coordination of each CuII atom is made up of four O atoms of the four fenoprofenate units and another O atom from a dimethyl\u00adformamide mol\u00adecule. The two enanti\u00adomeric forms of the fenoprofenate anions are present in the complex, in an optically inactive centrosymmetric arrangement.The title compound, [Cu DOI: 10.1107/S1600536808038786/bg2218Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O atoms of the perchlorate anions are disordered with occupancies in the ratio 0.593\u2005(10):0.407\u2005(10). In the crystal, mol\u00adecules are stabilized by two N\u2014H\u22efO hydrogen bonds, forming zigzag chains along the a axis, which are further inter\u00adconnected by N\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.50\u2005(1)\u2005\u00c5] into a three-dimensional network.In the cation of the title compound, [Mn(C DOI: 10.1107/S1600536809029195/tk2501Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits \u03c0\u2013\u03c0 inter\u00adactions between the benzene rings from neighbouring mol\u00adecules [centroid\u2013centroid distance = 3.616\u2005(4)\u2005\u00c5] and weak C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title mol\u00adecule, C DOI: 10.1107/S1600536808000895/cv2379Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Cd\u22efO secondary bonding links one of the two imidazole rings and the anion into ion pairs. The free and bound cations form layers between which the [CdCl4]2\u2212 anions are sandwiched. The CdII atom adopts a distorted trigonal-bipyramidal geometry in which the Cd\u22efO bond is axial. Inter\u00admolecular N\u2014H\u22efCl hydrogen bonds form a two-dimensional network parallel to (001) which ensures the junction between creatininium cations and [CdCl4]2\u2212 anions.In the title compound, (C DOI: 10.1107/S1600536809026944/bt2978Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn atom is four-coordinate in a distorted tetra\u00adhedral geometry, binding to a phenolate O and an imine N atom of the Schiff base ligand, the O atom of a methanol mol\u00adecule and one I\u2212 anion. In the crystal structure, adjacent mol\u00adecules are linked through inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming centrosymmetric dimers.The title compound, [Zn(C DOI: 10.1107/S1600536809009234/sj2595Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809027196/dn2466Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bond S atoms [Sn\u2014S = 2.521\u2005(2) and Sn\u22efS = 2.933\u2005(2)\u2005\u00c5]. The Sn atom lies on a special position of mm2 site symmetry and the tin-bound n-butyl chain is disordered about a mirror plane. The ethyl and n-butyl groups of the dithio\u00adcarbamate unit are disordered about another mirror plane.The Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536809014883/tk2428Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As a consequence of the bulky substituents at the O atom, the P\u2014O\u2014Sn bond angle is 163.9\u2005(3)\u00b0.The complete mol\u00adecule of the title compound, [Sn(C DOI: 10.1107/S1600536808013809/hb2731Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by O\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536808009495/bt2691Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The formally negatively charged O atom involved in chelation also serves as a bridge. The O, O\u2032, N and S atoms comprise a square, and the Cl atom the apex of a square pyramid surrounding each metal atom. The solvate dimethyl\u00adformamide mol\u00adecules, one of which is disordered over two positions in a 3:1 ratio, are hydrogen bonded to the dinuclear mol\u00adecule.In the dinuclear title compound, [Zn DOI: 10.1107/S1600536810014522/hg2675Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the flanking units, the three C2H6NS groups each chelate to the metal atom. The cations inter\u00adact with the perchlorate anions through weak N\u2014H\u22efO hydrogen bonds resulting in a three-dimensional network. In the asymmetric unit two cations are present, one of which is disordered over two positions with occupancies of 0.75 and 0.25.In the title salt, [Fe DOI: 10.1107/S1600536808036167/ng2504Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic ring systems in the ligand is 16.0\u2005(3)\u00b0. In the crystal structure, the complex cations and chloride anions are linked by O\u2014H\u22efCl and N\u2014H\u22efCl hydrogen bonds. The chloride ion lies on a crystallographic twofold axis. In the title compound, [Mn(C DOI: 10.1107/S1600536810012894/hb5394Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808041408/hg2447Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging function of the iodide ions leads to a chain structure propagating in [001].In the title coordination polymer, [CdI DOI: 10.1107/S1600536810014091/hb5403Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thio\u00adcyanate anion bridges the CuI atoms, forming a zigzag chain along [101]. The Schiff base ligand adopts an E,E configuration and the dihedral angle between the terminal benzene rings is 53.68\u2005(8)\u00b0.In the cyrstal structure of the title compound, [Cu(NCS)(C DOI: 10.1107/S1600536808041925/lh2744Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A short intra\u00admolecular Sn\u22efO contact of 2.793\u2005(2)\u2005\u00c5 also occurs.In the title compound, [Sn(C DOI: 10.1107/S1600536808015754/hb2734Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, mol\u00adecules are linked into dimers by inter\u00admolecular N\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S160053680802758X/ci2661Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the complex mol\u00adecules are linked into a three-dimensional network by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, and \u03c0\u2013\u03c0 stacking inter\u00adactions with centroid\u2013centroid separations of 3.758\u2005(2) and 3.597\u2005(1)\u2005\u00c5.In the title compound, [Zn(C DOI: 10.1107/S1600536809009180/hy2185Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4,6-dihydroxy\u00adbenzene-1,3-disulfonate anion, acting as a counter-ion, is also located on the mirror plane. The crystal packing is stabilized by O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supra\u00admolecular network.In the title compound, [Zn(CH DOI: 10.1107/S1600536810006525/hy2283Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polyhedron around each Ni(II) atom is a square pyramid. The separations of the Ni atoms bridged by the oxamide and carboxyl groups are 5.227\u2005(9) and 5.268\u2005(6)\u2005\u00c5, respectively. In the crystal structure, a two-dimensional supramolecular network structure involving O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding is observed.In the title methanol disolvate complex, [Ni DOI: 10.1107/S160053680905017X/pv2236Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The B atom of one of the BF4 \u2212 anions is disordered over two sites in a 0.825\u2005(2):0.175\u2005(2) ratio. In the crystal, C\u2014H\u22efF hydrogen bonds help to establish the packing.In the title compound, [Cu(CH DOI: 10.1107/S1600536809012331/hb2926Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The edta ligands link the neodymium metal centres, forming polymeric chains running along the a axis of the unit cell. These chains are further assembled via inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adactions into a three-dimensional supra\u00admolecular network.In the title complex, [Nd(C DOI: 10.1107/S1600536808026445/bg2202Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Ni(C12H8N5)2(H2O)4]\u00b72H2O, lies on a center of inversion and is coordinated by the N atoms of two 3,5-di-4-pyridine-1,2,4-triazolate ligands and by four water O atoms in a slightly distorted octa\u00adhedral geometry. The coordinated and uncoordinated water mol\u00adecules inter\u00adact with the N-heterocycles through O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds, generating a three-dimensional supra\u00admolecular architecture.The Ni DOI: 10.1107/S1600536809027688/hg2531Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The glycine mol\u00adecules have usual conformations [Rodrigues Matos Beja et al. , is made up of strong O\u2014H\u22efO hydrogen bonds with a donor acceptor distance of 2.445\u2005(2)\u2005\u00c5. A large number of weaker O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds consolidates the structure into an overall three-dimensional network.All the residues of the title compound, (C al. 2006. Acta Cr DOI: 10.1107/S160053680803849X/rn2049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII ion is coordinated by four N atoms in a distorted tetra\u00adhedral geometry. The BaII ion is coordinated by ten O atoms [Ba\u2014O 2.766\u2005(19)\u20132.859\u2005(19)\u2005\u00c5] from two benzo-15-crown-5 ligands in a sandwich-like configuration.In the title compound, [Ba(C DOI: 10.1107/S1600536809053471/cv2669Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809035041/jh2099Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Longer Co\u2014O contacts [2.437\u2005(3) and 2.552\u2005(3)\u2005\u00c5] are formed to the second O atom of each coordinated carboxyl\u00adate group so that these groups approximate a bidentate coordination mode and the coordination geometry around CoII approaches distorted octa\u00adhedral. The 2,2\u2032-dpa ligands bridge two CoII atoms, forming a cyclic dinuclear complex around a centre of inversion.In the title compound, [Co DOI: 10.1107/S1600536808037288/bi2316Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak \u03c0\u2013\u03c0 stacking inter\u00adactions, with centroid\u2013centroid distances of 3.862\u2005(2) and 3.887\u2005(5)\u2005\u00c5, and significant C\u2014H\u22ef\u03c0 inter\u00adactions help to stabilize the crystal structure. The atoms of the unique terminal 4-pyridine\u00adpropane group are disordered over two sites, the ratio of refined occpancies being 0.712\u2005(7):0.288\u2005(7).In the title compound, [Mn(C DOI: 10.1107/S1600536809009891/lh2780Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Thus, the coordination environment of the CaII ions is composed of six O atoms belonging to the phosphoryl and sulfonyl groups of two chelate rings and two additional O atoms of two bridging sulfonyl groups. The coordination polyhedron of the central atom (2 symmetry) has a distorted octa\u00adhedral geometry.The crystal structure of the title calcium complex, [Ca(C DOI: 10.1107/S1600536809032875/bq2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom displays a distorted octa\u00adhedral coordination with axial elongation. The binuclear mol\u00adecules are linked by inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds into a two-dimensonal supra\u00admolecular network extending parallel to (100).The title complex, [Ni DOI: 10.1107/S1600536809052933/si2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A 4,4\u2032-bipyridine mol\u00adecule bridges two water-coordinated Cu atoms, each of which is connected to another 4,4\u2032-bipyridine, giving rise to a square-pyramidal coordination geometry for the CuII centers. The dinuclear dications, nitrate anions and uncoord\u00adinated water mol\u00adecules are linked into a two-dimensional structure.In the title dinuclear complex, [Cu DOI: 10.1107/S1600536808002109/ng2423Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule exhibits pseudo-C v2 symmetry and is essentially planar, with a maximum deviation from planarity of 0.0124\u2005(2)\u2005\u00c5. The dihedral angle between the two pyridine rings is 5.85\u2005(2)\u00b0.In the crystal structure of the title complex, [Pt(C DOI: 10.1107/S1600536808002006/wn2232Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted octa\u00adhedral trans-N2O4 coordination geometry is completed by the vanadyl O atom. In the crystal, mol\u00adecules are linked by N\u2014H\u22efO hydrogen bonds into a linear chain parallel to [010].In the crystal structure of the title compound, [VO(C DOI: 10.1107/S1600536809019928/xu2529Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal packing, a three-dimensional network is constructed via hydrogen-bonding involving the water mol\u00adecules, uncoordinated imidazole N atom, protonated pyridine N and carboxyl\u00adate O atoms.In the title complex, [Fe(C DOI: 10.1107/S160053680902337X/kp2221Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808015390/sj2506Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Supra\u00admolecular chains feature in the crystal structure, comprising all components of the structure stabilized by a combination of O\u2014H\u22efO, N\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonding.The reaction of zinc chloride and 2-methyl-8-hydroxy\u00adquinoline in methanol yielded the title monosolvated salt, (C DOI: 10.1107/S1600536809014202/tk2423Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808012828/dn2343Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "A three-dimensional network is generated by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds between the complex and the water mol\u00adecules.The asymmeric unit of the title compound, [Co(C DOI: 10.1107/S1600536810013802/pk2239Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is N,O-chelated by the deprotonated Schiff base 2-[2-(1H-indol-3-yl)ethyl\u00adimino\u00admeth\u00adyl]phenolate ligand in a square-planar coordination environment. The mol\u00adecule is linked to a solvent mol\u00adecule by an indole\u2013dimethyl\u00adformamide N\u2014H\u22efO hydrogen bond.The Ni atom in the title compound, [Ni(C DOI: 10.1107/S1600536808012968/sg2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The packing of the cations and anions forms voids of 258\u2005\u00c53, which are filled by methanol and solvent water mol\u00adecules with half occupancies. O\u2014H\u22efO hydrogen bonds between solvent molecules, perchlorate anions and water molecules, and between water molecules and O atoms of the ligand, help to consolidate the crystal packing.In the title compound, [Co(C DOI: 10.1107/S1600536808031887/cv2457Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It adopts the Z conformation and the atoms comprising the ester linkage are essentially coplanar (r.m.s. deviation of 0.0234\u2005\u00c5). The acyl C\u2014O bond length of 1.470\u2005(2)\u2005\u00c5 falls within the normal range seen for esters of tertiary alcohols and is below the value of 1.496\u2005\u00c5 found in tri-tert-butyl\u00admethyl 4-nitro\u00adbenzoate.The title compound, C DOI: 10.1107/S160053680902889X/zs2001Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by a network of O\u2014H\u22efO hydrogen bonds, resulting in a two-dimensional supra\u00admolecular structure.In the neutral title complex, [Fe(C DOI: 10.1107/S1600536808042529/ng2527Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4-methyl\u00adpyridine ligand occupies an axial position trans to one of the imine N atoms of the penta\u00addentate ligand. In the observed conformation of the penta\u00addentate ligand, the pyrrole rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN6 coordination can be described as distorted octa\u00adhedral.The title compound, [Co(C DOI: 10.1107/S1600536810006112/dn2536Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is influenced by weak N\u2014H\u22efN hydrogen bonds between the amino groups and the cyanide N atoms, resulting in chains of mol\u00adecules propagating in [110]. Both cyclo\u00adhexyl\u00adamine mol\u00adecules adopt chair conformations.In the title compound, [Hg(CN) DOI: 10.1107/S1600536810001042/wm2295Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [HgI4]2\u2212 ions are inter\u00adconnected to the [C(NH2)3]+ ions by N\u2014H\u22efI hydrogen bonds, forming a three-dimensional network. The four different observed Hg\u2014I distances are consistent with four different 127I NQR frequencies observed, showing the existence of four unique I atoms in the tetra\u00adiodidomercurate unit.The Hg atom in the crystal structure of the title compound, (CH DOI: 10.1107/S160053680901280X/bx2201Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two bidentate L e1 ligands are coordinated to the CuII center through N-donor atoms, leading to the CuN4 chromophore. The CuII environment is slightly distorted square-planar, with a dihedral angle of 5.17\u2005(6)\u00b0 between the two six-membered chelate rings. One of the ClO4 \u2212 anions is disordered over two positions in a 0.6:0.4 ratio.The title complex, [Cu(C DOI: 10.1107/S1600536809034965/jh2102Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Regarding the coordinating C=C bonds as occupying a single coordination site each, the geometry around each Ir atom is square-planar.The title complex, [Ir DOI: 10.1107/S1600536808007216/cf2181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The exocyclic N atom environment is approximately coplanar with the pyrrolopyrimidine [corresponding dihedral angle is 5.5\u2005(1)\u00b0], whereas the mean plane of the N\u2014C\u2014C\u2014C link connecting with the imidazolyl ring is almost exactly orthogonal to the plane of the bicyclic system [dihedral angle = 91.6\u2005(2)\u00b0]. The imidazolyl plane itself, however, forms a relatively small dihedral angle of 20.8\u2005(1)\u00b0 with the pyrrolopyrimidine plane. There are two independent N\u2014H\u22efN hydrogen bonds in the structure, which link mol\u00adecules into layers parallel to (The title compound, C DOI: 10.1107/S1600536809054750/dn2525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808035460/tk2320Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Fe atoms are bridged by four carboxyl\u00adate groups and are each coordinated by a mol\u00adecule of 2-picoline. Electron counting and the 18-electron rule suggest that a chemical single bond is likely to exist between the two Fe atoms, which are separated by a distance of 2.8576\u2005(4)\u2005\u00c5. This bond completes an approximately octa\u00adhedral coordination environment around each Fe atom.The asymmetric unit of the title compound, [Fe DOI: 10.1107/S1600536808005102/wk2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom (site symmetry 7H3N2O6)2(CH3OH)4], exists within an octa\u00adhedral O6 donor set defined by two O-monodentate 3,5-dinitro\u00adbenzoate anions and four methanol O atoms. An intra\u00admolecular Om\u2014H\u22efOc (m = methanol and c = carbon\u00adyl) hydrogen bond leads to the formation of an S(6) ring. In the crystal, centrosymmetrically related mol\u00adecules associate via further Om\u2014H\u22efOc hydrogen bonds, leading to linear supra\u00admolecular chains propagating along the a-axis direction.The Co DOI: 10.1107/S1600536810007580/hb5347Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is chelated by the Schiff base ligand in a distorted CuN2O2 square-planar geometry. An extensive O\u2014H\u22efO hydrogen-bonding network is present in the crystal structure.In the crystal structure of the title compound, [Co(H DOI: 10.1107/S1600536809040045/xu2621Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The oxalate anions act as bis-bidentate ligands, bridging the Cu\u2013phen units in zigzag chains extending parallel to [100]. Inter\u00adchain C\u2014H\u22efO hydrogen bonding and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.7439\u2005(17)\u2005\u00c5] assemble neighboring chains, forming a three-dimensional supra\u00admolecular network.In the title coordination polymer, [Cu(C DOI: 10.1107/S1600536810035440/zl2304Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is coordinated by four O atoms from four 2,4-dichloro\u00adphenoxy\u00adacetate ligands and two water mol\u00adecules, displaying a distorted octa\u00adhedral geometry. The carboxyl\u00adate groups of the 2,4-dichloro\u00adphenoxy\u00adacetate ligands link the Fe atoms, forming a polymeric layered network in the bc plane. Intra\u00adlayer O\u2014H\u22efO hydrogen bonds enhance the stability of the two-dimensional network.In the title compound, [Fe(C DOI: 10.1107/S1600536808029279/hy2149Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Rh\u2014C bond is relatively short at 1.996\u2005(6)\u2005\u00c5. This short metal\u2013carbon bond length is typical of perfluoro complexes of transition metals and illustrates the enhanced bond strength in these compounds.The structure of the title compound, [RhI DOI: 10.1107/S1600536808029978/kj2099Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal site is nine-coordinate, in a distorted monocapped square-anti\u00adprismatic coordination geometry. Mol\u00adecules are linked into three chains by C\u2014H\u22ef\u03c0 interactions and C\u2014H\u22efO hydrogen bonds. The combination of these chains generates a three-dimensional framework structure. One of the bridging naphthalene-1-ace\u00adtate ligands was found to be disordered over two sites; the site occupancies for the naphthylmethyl group refined to 0.628\u2005(14) and 0.372\u2005(14).In the title compound, [EuSm(C DOI: 10.1107/S1600536808032960/at2644Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three pyridine rings are approximately coplanar, with a maximum deviation of 0.03\u2005\u00c5 from the mean plane. The phen\u00adoxy substituent makes a dihedral angle of 18.1\u2005(2)\u00b0 with the central pyridine ring. The benzyl group has a C\u2014O\u2014C\u2014C torsion angle of 77.62\u2005(8)\u00b0 relative to the phen\u00adoxy ring. In the crystal, mol\u00adecules are linked via C\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(CH DOI: 10.1107/S1600536809049502/wm2284Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The centrosymmetric dinuclear anion has two halide atoms functioning in a bridging mode, which confers tetra\u00adhedral coordination to the Cd atom. The three independent halide atoms are each a mixture of bromide and chloride; the occupancies of the Br atoms are 0.6434\u2005(11), 0.7468\u2005(11) and 0.8598\u2005(11).In the salt, (H DOI: 10.1107/S1600536809020388/tk2468Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The non-H atoms of the equatorial plane are coplanar, with a mean deviation of 0.0355\u2005(2)\u2005\u00c5. The FeII cation lies on an inversion centre. Thus, the asymmetric unit comprises one half-mol\u00adecule.In the title compound, [Fe(N DOI: 10.1107/S1600536808018539/kp2177Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co2+ ion is six-coordinated by three N atoms, one water O atom and two O atoms from two ATPA ligands to form a distorted octa\u00adhedral geometry. The two carboxyl\u00adate groups of ATPA act as bridging ligands connecting the CoII metal centers to form one-dimensional zigzag chains along the c axis, with Co\u2014O distances in the range 2.104\u2005(4)\u20132.135\u2005(4)\u2005\u00c5. The average Co\u2014N distance is 2.171\u2005\u00c5. A classical O\u2014H\u22efN hydrogen bond is formed by the coordinating water mol\u00adecule and the pyridine solvent mol\u00adecule. The structure was refined from a racemically twinned crystal with a twin ratio of approximately 8:1.The reaction of cobalt(II) nitrate with 5-amino-2,4,6-tri\u00adiodo\u00adisophthalic acid (ATPA) in pyridine solution leads to the formation of the title compound, {[Co(C DOI: 10.1107/S1600536808032017/si2113Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ cation is surrounded in a slightly distorted octa\u00adhedral coordination by six N atoms from three chelating 3-(2-pyrid\u00adyl)-1H-pyrazole ligands. In the heteropolyanion, two O atoms of the central SiO4 group (The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810000978/wm2297Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its crystal structure not only confirms the anti\u00adcipated absolute configuration but also establishes a rather regular geometry for the ferrocene unit, devoid of any significant deformation due to the attached substituents. In the crystal, symmetry-related mol\u00adecules are linked via weak C\u2014H\u22efO inter\u00adactions.The title compound, [Fe(C DOI: 10.1107/S1600536809036654/su2145Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions exists in the zwitterionic form (protonated amino group and two deprotonated phospho\u00adnate O atoms) and constitute two six-membered chelate rings. The crystal structure also contains nine partly disordered uncoordinated water mol\u00adecules, which create an extensive three-dimensional network of strong O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536810013681/wm2322Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is four-coordinated by the imine N and phenolate O atoms of the Schiff base ligand, and by two bromide ions, in a tetra\u00adhedral coordination geometry. Adjacent mol\u00adecules are linked through inter\u00admolecular N\u2014H\u22efO hydrogen bonds, forming chains running along the b axis.The title complex, [ZnBr DOI: 10.1107/S1600536808023672/sj2525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cobalt ion sits in a slightly distorted octa\u00adhedral environment and is ligated to four N atoms of two 1,10-phenanthroline molecules and to two O atoms of two dithienothio\u00adphene-2,6-dicarb\u00adoxy\u00adl\u00adate anions. The anions act as bridges between the CoII centers.The asymmetric unit of the title compound, [Co DOI: 10.1107/S1600536809011337/pk2151Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The octa\u00adhedrally coordinated cobalt ions are bridged by 4,4\u2032-trimethyl\u00adenedipyridine ligands, generating a chain. These chains are further linked by O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds, giving a three-dimensional network.The title compound, [Co(C DOI: 10.1107/S1600536808043584/bt2833Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808020850/ng2470Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron around PrIII is a distorted bicapped square anti\u00adprism. The chloro\u00adform solvent mol\u00adecule is not involved either in coordination to the PrIII center or in hydrogen bonding to the complex. The Pr\u2014O(phenolate) bonds are significantly shorter than the Pr\u2014O(ether) and Pr\u2014O(nitrate) bonds, which suggests that the Pr\u2014O(phenolate) bond is stronger than these other bonds. In the crystal structure, the acyclic crown-type Schiff base ligand wraps around the PrIII centre, forming a pseudo-ring.In the title compound, [Pr(C DOI: 10.1107/S1600536808021259/wn2255Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the pendant \u2013(CH2)3OH groups of the ligand is disordered over two sets of sites in a 0.597\u2005(5):0.403\u2005(5) ratio. In the crystal, O\u2014H\u22efCl and O\u2014H\u22efO hydrogen bonding helps to establish the packing.In the title compound, [Fe(CH DOI: 10.1107/S1600536809021758/hb2994Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the NiII ion is six-coordinated by two imidazole ligands [Ni\u2014N = 2.0568\u2005(14)\u2005\u00c5] and four water mol\u00adecules [both independent Ni\u2014O distances are 2.098\u2005(1)\u2005\u00c5] in a distorted octa\u00adhedral geometry. Inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.The triclinic unit cell of the title compound, [Ni(C DOI: 10.1107/S1600536807067761/cv2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion exhibits a distorted tetra\u00adhedral arrangement about the Hg atom. The crystal structure contains alternating sheets of cations (in the ac plane) and stacks of anions. Several strong hydrogen-bonding inter\u00adactions , along with O\u2014H\u22efBr inter\u00adactions, connect the sheets of cations to the stacks of anions. Cation\u2013cation \u03c0\u2013\u03c0 stacking is also present (C\u22efC distances in the range 3.424\u20133.865\u2005\u00c5). The shortest Br\u22efBr distance is 3.9527\u2005(9)\u2005\u00c5.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808012336/cs2074Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, 2[Sn(CH3)2(C6H5)Cl(H2O)]\u00b7C10H20O5, exists in a trans-C3SnClO trigonal bipyramidal geometry in which the organo substituents occupy the equatorial sites. The coordinated water mol\u00adecule forms two hydrogen bonds to the 15-crown-5\u2005mol\u00adecule, which is disordered about a center of inversion.The Sn DOI: 10.1107/S1600536808011070/tk2247Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the molecules form hydrogen bonded chains propagating in [100] linked by O\u2014H\u22efO interactions. Further O\u2014H\u22efO bonds cross-link the chains.The title compound, C DOI: 10.1107/S1600536809017656/fl2248Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Fe atom is displaced by 0.219\u2005(2)\u2005\u00c5 toward the trifluoro\u00admethane\u00adsulfonate anion from the 24-atom mean plane of the porphyrin, resulting in a distorted FeN4O square-based pyramidal geometry. One ethyl\u00adene group is disordered over two orientations in a 0.502\u2005(6):0.498\u2005(6) ratio.The title compound, [Fe(CF DOI: 10.1107/S1600536808031504/hb2808Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808002201/lh2588Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "L) forms a complex with a Zn2+ atom and two independent thio\u00adcyanate ions, [Zn(NCS)2(C15H15NO2)2], in which two phenolate O atoms the two independent Schiff base ligands are coordinated to thee Zn2+ atom. The protonated imine N atoms are involved in an intramolecular hydrogen bond with the phenoxide group. The Zn atom is also coordinated by two N atoms of two thio\u00adcyanate ligands. The coordination environment of the Zn atom is distorted-tetra\u00adhedral.The Schiff base 2-[(4-methyl\u00adphen\u00adyl)imino\u00admeth\u00adyl]-6-methoxy\u00adphenol (H DOI: 10.1107/S1600536808035368/at2651Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The DyIII ion is in each case O,N,O\u2032-chelated by three tridentate pyridine-2,6-dicarboxyl\u00adate anions. Three protonated imidazole mol\u00adecules act as counter-cations and three lattice water mol\u00adecules are also present. Numerous N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonding inter\u00adactions, some of which are bifurcated, help to stabilize the packing of the structure.The structure of the title compound, (C DOI: 10.1107/S1600536810036421/wm2398Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO hydrogen bonds link the cations and anions into layers parallel to the ab plane. The crystal packing also exhibits weak C\u2014H\u22efO hydrogen bonds, including bifurcated hydrogen bonds, and C=O\u22ef\u03c0 inter\u00adactions.In the title compound, (C DOI: 10.1107/S1600536809014342/cv2551Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C6H5)2(C18H11ClN2O3)], is O,N,O\u2032-chelated by the deprotonated Schiff base ligand and further bonded by two phenyl rings in a distorted cis-C2SnNO2 trigonal-bipyramidal geometry [C\u2014Sn\u2014C = 125.7\u2005(2)\u00b0]. The two phenyl rings are oriented at a dihedral angle of 55.2\u2005(3)\u00b0. Intra\u00admolecular O\u2014H\u22efN hydrogen bonding is present in the crystal structure.The Sn DOI: 10.1107/S1600536809050107/xu2687Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure is stabilized by C\u2014H\u22efBr hydrogen bonds and inter\u00admolecular C\u2014Br\u22ef\u03c0 inter\u00adactions [C\u22ef\u03c0 = 3.57\u2005(1)\u2005\u00c5].In the title compound, [Sb(C DOI: 10.1107/S1600536808033783/lx2073Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The LaIII atom is coordinated by nine O atoms from three carboxyl\u00adate, three sulfonate and two hydroxyl groups, and one water mol\u00adecule, forming a distorted trigonal-prismatic square-face tricapped geometry.The title compound, [La(C DOI: 10.1107/S1600536809007879/is2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [CuCl2(C12H9IN2)], has a square-planar coordination being N,N\u2032-chelated by the Schiff base ligand, and by two Cl atoms. The geometry is distorted towards square pyramidal owing to a long Cu\u22efCl inter\u00adaction of 2.941\u2005(1)\u2005\u00c5. This results in the formation of a zigzag chain structure propagating in the c-axis direction.The Cu DOI: 10.1107/S1600536809011684/su2104Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate ligands bridge pairs of gadolinium(III) ions, forming a zigzag chain along [100]. Hydrogen bonds link the chains into sheets parallel to (001).In the title compound, [Gd(C DOI: 10.1107/S1600536808012981/om2225Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atom, located on an inversion centre, is coordinated by two carboxyl\u00adate groups of the sulfoisophthalate trianions and by four water mol\u00adecules in a distorted CoO6 octa\u00adhedral geometry. Two independent NaI atoms also have a distorted octa\u00adhedral coordination geometry formed by water, carboxyl\u00adate O and sulfonate O atoms. An extensive O\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding network is present in the crystal structure, as well as weak \u03c0-\u03c0 stacking [centroid\u2013centroid distance = 3.9553\u2005(11)\u2005\u00c5].The title compound, [CoNa DOI: 10.1107/S1600536809008174/is2394Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure exhibits a pseudo-mirror plane through the metal atom, two chloride anions and the pyridine ring. In the crystal structure, the complexes are connected via inter\u00admolecular C\u2014H\u22efCl hydrogen bonding.In the title complex, [CoCl DOI: 10.1107/S1600536808013007/nc2100Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co atoms are linked into an anionic coordination polymer chain by bis-monodentate pyromellitate ligands. The chain motifs are connected into a supra\u00admolecular layer by hydrogen bonding mediated by uncoordinated water mol\u00adecules. Charge balance is provided by doubly protonated bis\u00ad(4-pyridylmeth\u00adyl)piperazine units, which are anchored to the coordination polymer chain motifs by N\u2014H\u22efO hydrogen bonding.In the title compound, {(C DOI: 10.1107/S1600536809051101/hy2258Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, N\u2014H\u22efN hydrogen bonds help to consolidate the packing.In the title compound, [Mn(N DOI: 10.1107/S1600536808017984/hb2744Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anion, the AuIII atom has a square-planar coordination. In the crystal structure, intra- and inter\u00admolecular C\u2014H\u22efCl hydrogen bonds are found.In the cation of the title compound, [AuCl DOI: 10.1107/S1600536808025476/hk2509Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efO hydrogen bond occurs. In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the mononuclear complexes into chains extending parallel to [010]. Furthermore, \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.5696\u2005(6)\u2005\u00c5] stabilize the crystal structuure. In the mononuclear title complex, [Ni(C DOI: 10.1107/S1600536810034252/bt5331Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule is a centrosymmetric dimer. \u03c0\u2013\u03c0 Stacking inter\u00adactions are observed between the 4,4\u2032-dimethyl-2,2\u2032-bipyridine ligands, with a centroid\u2013centroid distance of 3.649\u2005(2)\u2005\u00c5.In the title compound, [Zn DOI: 10.1107/S1600536808010271/hy2127Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron of the Mn atom is a slightly distorted octa\u00adhedron. The Mn atoms are connected by azide anions with a \u03bc2-1,1 mode and by 5-(8-quinolyloxymeth\u00adyl)tetra\u00adzolate ligands in a \u03bc2-\u03b71(N),\u03b73- fashion to form a two-dimensional framework parallel to the (100) plane. Geometric parameters of the organic ligand are in the normal ranges and the dihedral angle between the quinoline ring system and the tetra\u00adzole unit is 7.41\u2005(15)\u00b0. The structure involves intra- and inter\u00admolecular C\u2014H\u22efN hydrogen bonds.In the structure of the title compound, [Mn(C DOI: 10.1107/S1600536808022617/rk2100Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand donor atoms are the tertiary N atoms of the imidazole rings and the carboxyl\u00adate O atoms of two chelating 5-carb\u00adoxy-2-propyl-1H-imidazole-4-carboxyl\u00adate ligands, the carb\u00adoxy O atoms of two additional imidazole ligands and two water O atoms. The carb\u00adoxy O and the N,O-chelate systems also link adjacent PbII atoms, forming a two-dimensional layer structure, with four individual PbII atoms located at the corners of a square. These layers are further inter\u00adconnected by an extensive array of O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds into a three-dimensional network.In the title complex, [Pb(C DOI: 10.1107/S1600536810013735/sj2771Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The five ZnII ions form a penta\u00adnuclear zinc cluster, which is further bridged by ten organic ligands, forming two-dimensional sheets. The central zinc ion of the cluster has site symmetry 2 and is octahedrally coordinated in a N2O4 donor set, whereas the other four zinc atoms are tetrahedrally coordinated by four O atoms. The coordination modes for the 5-tert-butyl\u00adisophthalates are bis\u00ad(bidentate) or bidentate-monodentate. Hydrogen bonds are formed between adjacent sheets through the hydroxide groups and the O atoms of the monodentate carboxyl\u00adate groups. The two tert-butyl groups are disordered over two positions with ratios of 0.64\u2005(2):0.36\u2005(2) and 0.85\u2005(3):0.15\u2005(3).The asymmetric unit of the title compound, [Zn DOI: 10.1107/S1600536809031365/dn2465Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The close approach of the pendant carbonyl O atoms [Sn\u2014O = 2.577\u2005(3) and 2.573\u2005(3)\u2005\u00c5] increases the coordination number to six. Supra\u00admolecular chains are formed along the a axis in the crystal structure owing to the presence of C\u2014H\u22efO contacts.In the title compound, [Sn(C DOI: 10.1107/S1600536809048971/im2162Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809018364/fi2078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry is defined by two nitro\u00adgen donors from the 2,2\u2032-bipyridine ligand, two O atoms from two monodentate thio\u00adphene-2-carboxyl\u00adate ligands and one O atom from the aqua ligand. The latter occupies the elongated apical position. This is different from the related structure of aqua\u00adbis\u00ad(thio\u00adphene-2-carboxyl\u00adato)copper(II) where a carboxyl\u00adate O atom is in the apical position [Feng et al. \u2005\u00c5.In the title complex, [Cu(C al. 2005. Z. Kris DOI: 10.1107/S1600536809026713/fj2230Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule shows C s symmetry. The Sb\u2014O\u2014Sb angles cover a range from 89.65\u2005(10)\u00b0 to 102.08\u2005(13)\u00b0. In the crystal structure, two O\u2014H\u22efO hydrogen bonds are present.The title compound, [Sb DOI: 10.1107/S1600536809052192/bq2171Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atom displays a cis-CuN2O2 square-planar geometry, although two long (>\u00a02.43\u2005\u00c5) Cu\u22efO contacts complete a distorted cis-CuN2O4 octa\u00adhedron. Extensive C\u2014H\u22efO hydrogen bonds link the mol\u00adecules into a three-dimensional network.The title compound, [Cu DOI: 10.1107/S160053680802583X/om2255Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex mol\u00adecule has three six-membered chelate rings formed by hydroxy\u00adbutane\u00adimine ligands and the two CrIII atoms are bridged by two Cl atoms and one O atom.In the title dichromium complex, [Cr DOI: 10.1107/S1600536808027645/is2322Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions between the benzene rings; the centroid\u2013centroid distance between the adjacent benzene rings (symmetry code: The title compound, C DOI: 10.1107/S1600536808031796/fb2111Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the BEDT-TTF mol\u00adecules is generated by inversion. There are short S\u22efS contacts between the stacks in the a direction and short C\u2014H\u22efCl contacts between the radical cations and the anions. The structure of the electrochemically crystallized title compound, (C DOI: 10.1107/S1600536808033692/hb2784Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are significant differences between chemically equivalent coordination bond lengths. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds and weak \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance 3.495\u2005(1)\u2005\u00c5]. In one of the anions one nitro group is rotationally disordered about the C\u2014N bond with refined occupancies of 0.524\u2005(8) and 0.476\u2005(8).In the title complex, [Co(C DOI: 10.1107/S1600536809035934/lh2889Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four-coordinate AgI ion adopts a tetra\u00adhedral geometry, being bonded to two N atoms from two bridging isonicotinate ligands and two O atoms from two acetate ligands. These metal coordination units are connected by bridging isonicotinate and acetate ligands, generating a three-dimensional network.In the title homochiral three-dimensional heterometallic complex, [AgSm(C DOI: 10.1107/S1600536809048430/pv2235Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The central cadmium(II) ion is bound to six N atoms from three bpy ligands in a distorted octa\u00adhedral coordination, with Cd\u2014N bond distances ranging from 2.304\u2005(3) to 2.395\u2005(2)\u2005\u00c5.The asymmetric unit of the title compound, [Cd(C DOI: 10.1107/S1600536808036593/hg2440Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic rings is 1.72\u2005(14)\u00b0. In the crystal C\u2014H\u22ef\u03c0 stacking inter\u00adactions occur.In the title compound, [Hg(C DOI: 10.1107/S160053680900539X/pv2138Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components inter\u00adact by way of O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(C DOI: 10.1107/S1600536809033443/hb5052Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Tethering the RuCp* group to the benzene ring of p-toluene\u00adsulfonamide results in only minor changes to the mol\u00adecular geometry of the sulfonamide, but, together with crystallization as the [BPh4]\u2212 salt, effectively blocks involvement of the sulfonamide group in N\u2014H\u22efO hydrogen-bonding networks.The crystal structure of the title compound, [Ru(C DOI: 10.1107/S1600536808037689/bh2206Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adactions lead to infinite chains, which are further self-assembled into a supra\u00admolecular network through inter\u00admolecular N\u2014H\u22efO hydrogen-bonding inter\u00adactions and \u03c0\u2013\u03c0 stacking [centroid\u2013centroid distance = 3.717\u2005(2)\u2005\u00c5].In the mononuclear title compound, [Ni(C DOI: 10.1107/S1600536808009471/ng2442Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom, which lies on a twofold rotation axis, is situated in a distorted tetra\u00adhedral environment composed of two monodentate carboxlyate O atoms and two water O atoms. O\u2014H\u22efO hydrogen bonds link these units, forming sheets that are stacked along the c axis.The title compound, [Zn(C DOI: 10.1107/S1600536809005716/hy2183Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the Fe3+ ion is octahedrally coordinated by two N atoms and two O atoms from a tetra\u00addentate salmen anion and two N atoms from two Him mol\u00adecules. These ligands are coordinated to the iron ion in a direction perpendicular to the [Fe]+ coordination plane. The benzene ring planes in the salmen ligands are oriented nearly parallel to one another inter\u00admolecularly [dihedral angle = 6.36\u2005(3)\u00b0]. The dihedral angle between the mean planes through the imidazole rings in the cation is 76.9\u2005(2)\u00b0. In the crystal, N\u2014H\u22efO inter\u00adactions link the mol\u00adecules into a one-dimensional double chain running along [101] and C\u2014H\u22efO inter\u00adactions link the double chains into a two-dimensional network, running parallel to the ac plane.The title compound, [Fe(C DOI: 10.1107/S1600536810004010/kj2139Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In both cases, the ZnII atom is chelated by two S,S\u2032-bidentate dithiol\u00adate ligands. In the crystal, the chloro\u00adform solvent mol\u00adecules reside in cavities defined by the dinuclear species and are held in place via C\u2014H\u22efS contacts.The dinuclear title solvate, [Zn DOI: 10.1107/S1600536809044237/hb5173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C\u2014Al\u2014C angles range from 113.25\u2005(7) to 116.27\u2005(8)\u00b0, much larger than the O\u2014Al\u2014C angles, which range from 103.39\u2005(7) to 103.90\u2005(6)\u00b0. The tetra\u00adhydro\u00adfuran ring adopts an envelope conformation. The crystal packing is stabilized by C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Al(C DOI: 10.1107/S1600536808032091/ci2683Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the 2\u2032-carboxyl\u00adatobiphenyl-2-carboxylic acid ligands act as bridging ligands and, together with two zinc(II) cations, produce an 18-membered ring system. The remaining 2\u2032-carboxyl\u00adatobiphenyl-2-carboxylic acid ligands work as monodentate ligands. The crystal packing diagram is consolidated by O\u2014H\u22efO hydrogen bonds.In the dimeric title compound, [Zn DOI: 10.1107/S1600536809045541/im2149Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Both the Co and two Cl atoms in the tetrahedral coordination polyhedron lie on a mirror plane, while the bbp ligand is bis\u00adected through the central C atom in the chain by a second mirror plane. There are some \u03c0\u2013\u03c0 stacking inter\u00adations in the crystal structure, with inter\u00adplanar distances of 3.449\u2005\u00c5, which are responsible for the supra\u00admolecular assembly.In the title compound, [CoCl DOI: 10.1107/S1600536808020862/bg2192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each NiII cation in the Ni complex is four-coordinated by two imine N atoms and two phenolate O atoms from the tetra\u00addentate ligand. The Ni units form parallel slipped stacks with Ni\u22efNi separations of 3.4541\u2005(4) and 3.6442\u2005(6)\u2005\u00c5. The crystal packing is stabilized by inter\u00admolecular hydrogen bonds between the ammonium H atoms and the perchlorate and salen O atoms, which generate a three-dimensional structure.The title compound, (C DOI: 10.1107/S1600536810017162/sj2787Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distance between adjacent A and B sheets is ca 7.3\u2005\u00c5. In the structure, the ZnII center is coordinated by three O atoms from three terephthalate groups and one N atom from one dimethyl\u00adamine ligand, adopting a distorted tetra\u00adhedral geometry. All solvent water mol\u00adecules are disordered. In the structure, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are observed. The title compound, {(C DOI: 10.1107/S1600536809030177/at2837Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII ion is coordinated by two O atoms and four water O atoms in a distorted octa\u00adhedral geometry. Two pyrazolyl-3,5-dicarboxyl\u00adate anions chelate to two copper ions, forming a dinuclear unit, which further connects the MnII ions into chains extending along [100]. Both independent coordinated water mol\u00adecules on the MnII ion are disordered in a 50:50 fashion.In the title compound, [Cu DOI: 10.1107/S1600536810037542/fj2333Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, cations and anions are linked by inter\u00admolecular N\u2014H\u22efCl hydrogen bonds, forming a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536810007877/rz2412Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809022417/hb2992Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "In the crystal structure, distorted square-anti\u00adprismatic [LaO8] and monocapped square-anti\u00adprismatic [LaO9] polyhedra are connected via common edges and faces into chains along [010]. These chains are arranged in layers that alternate with layers of [MoO4] and [MoO5] polyhedra parallel to (001). In the molybdate layers, a distorted [MoO5] trigonal bipyramid is axially connected to two [MoO4] tetra\u00adhedra, forming a [Mo3O11] unit.Crystals of the ortho\u00adrhom\u00adbic phase La DOI: 10.1107/S1600536809026415/wm2242Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment of the CuII ion is distorted square-planar and it is N2O2-chelated by the 6,6\u2032-dimeth\u00adoxy-2,2\u2032-diphenolate Schiff base ligand. The Na atom is chelated by the four O atoms of the Schiff base ligand, and coordinated by a methanol mol\u00adecule and a perchlorate anion. The six-coordinate Na atom adopts a distorted octa\u00adhedral coordination geometry. The O atoms of the perchlorate anion are disordered over two sites with site-occupancy factors of 0.697\u2005(5) and 0.303\u2005(5). O\u2014H\u22efO hydrogen bonding occurs.The mol\u00adecule of the title compound, [CuNa(C DOI: 10.1107/S1600536809010356/pv2143Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is in a distorted square-pyramidal geometry, defined by four N atoms belonging to the amide and oxime groups of the triply deprotonated residue of N,N\u2032-bis\u00ad(2-hydroxy\u00adimino\u00adpropano\u00adyl)propane-1,3-diamine (H4pap) and one oxime O atom from a neighboring Hpap ligand at the apical site, forming a dimeric [Cu2(Hpap)2]2\u2212 unit. Each dimeric unit connects four Ca atoms and each Ca atom links four [Cu2(Hpap)2]2\u2212 units through Ca\u2014O(amide) bonds, leading to a three-dimensional framework. The crystal structure involves intra- and inter\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title compound, [CaCu DOI: 10.1107/S1600536809033467/hy2216Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Metal binding to 2-thio\u00adoxo-1,2-dihydro\u00adpyridin-1-olate occurs in a bidentate fashion via O and S, and in a monodentate manner via the N-oxide O atom. \u03c0\u2013\u03c0 Inter\u00adactions between polymeric chains are evident from centroid-to-centroid distances of pyridine\u00adthione fragments of 3.461\u2005(6)\u20133.607\u2005(6)\u2005\u00c5. The N\u2014O and C\u2014S bond lengths are distinctively different from those in hitherto investigated NiII, ZnII and (H3C)2TlIII complexes of 2-thio\u00adoxo-1,2-dihydro\u00adpyridin-1-olate, but correlate with those reported for 1-hydr\u00adoxy- and 1-alkoxy\u00adpyridine-2(1H)-thio\u00adnes in the solid state.The title compound, [Li DOI: 10.1107/S1600536808003619/cv2377Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three N atoms span the axial\u2013equatorial\u2013axial sites of the trigonal-bipyramidal coordination polyhedron; the geometry of the CuII atom is 31% distorted from trigonal-bipyramidal .The title compound, [CuCl DOI: 10.1107/S1600536810037025/xu5030Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each H2 L 2\u2212 ion bridges three CuII atoms to form a zigzag sheet parallel to the ab plane. The crystal structure is consolidated by O\u2014H\u22efO hydrogen bonds.In the title compound, {[Cu(C DOI: 10.1107/S1600536808037999/ci2718Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three inter\u00admolecular weak hydrogen-bonding contacts of the types C\u2014H\u22efN, C\u2014H\u22efS and C\u2014H\u22efO are observed in the crystal structure.In the title complex, [Zn(NCS) DOI: 10.1107/S1600536808008325/si2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The primary contacts between the ions are of the N\u2014H\u22efBr type.The metal atom in the anion of the title salt, (C DOI: 10.1107/S1600536809028128/tk2503Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metallabicyclic ring system is essentially planar (maximum deviation 0.059\u2005\u00c5).The crystal structure of the title compound, [Ru(C DOI: 10.1107/S1600536808040944/lh2738Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak inter\u00admolecular C\u2014H\u22efBr hydrogen bonds link mol\u00adecules into chains extended in [1In the title compound, [PdBr DOI: 10.1107/S1600536809045401/cv2640Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Sn atom is in a slightly distorted trigonal-bipyramidal coordination environment with two carboxyl\u00adate O atoms in the axial and the three methyl groups in equatorial sites. The cyclo\u00adhexene ring has a distorted half-boat conformation. There is an intra\u00admolecular C\u2014H\u22efO hydrogen bond.The title compound, [Sn(CH DOI: 10.1107/S1600536809054403/bx2254Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional network is formed via inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the imidazole and benzene rings of neighboring mol\u00adecules [centroid\u2013centroid distance = 3.856\u2005(2)\u2005\u00c5].In the title mononuclear complex, [Ni(C DOI: 10.1107/S1600536809005960/hy2181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IIICl2(C12H12N2)]2[AuIIICl4][AuICl2], contains three distinct types of Au atom. In the cation, the AuIII atom is four-coordinated in a distorted square-planar arrangement by an N,N\u2032-bidentate 5,5\u2032-dimethyl-2,2\u2032-bipyridine ligand and two terminal Cl atoms. In the [AuCl4]\u2212 anion, the centrosymmetric AuIII atom has a square-planar coordination. The centrosymmetric [AuCl2]\u2212 anion is linear. Intra- and inter\u00admolecular C\u2014H\u22efCl hydrogen bonds help to establish the conformation and packing.The title compound, [Au DOI: 10.1107/S1600536809006436/hb2902Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Another carboxyl\u00adate O atom from an adjacent complex is located in the opposite apical direction, with a Cu\u22efO distance of 2.706\u2005(3)\u2005\u00c5, and is not considered as a bridging atom. Extensive O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonding is present in the crystal structure.In the crystal structure of the title compound, [Cu(C DOI: 10.1107/S1600536809013518/xu2509Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chains are linked into a three-dimensional supra\u00admolecular network via O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds.In the title linear coordination polymer, [Zn(C DOI: 10.1107/S1600536808013251/ng2446Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The strongest cation\u2013cation O\u2014H\u22efO hydrogen bond in the structure, together with other strong cation\u2013cation N\u2014H\u22efO hydrogen bonds, generates a succession of infinite chains of R 2 2(8) rings along the b axis. Additional cation\u2013cation C\u2014H\u22efO hydrogen bonds link these chains into two-dimensional layers formed by alternating R 4 4(24) and R 4 2(12) rings. Connections between these layers are provided by the strong cation\u2013anion N\u2014H\u22efO hydrogen bonds, as well as by one weak C\u2014H\u22efO inter\u00adaction, thus forming a three-dimensional network. Some of the cation\u2013anion N\u2014H\u22efO hydrogen bonds are bifurcated of the type D\u2014H\u22ef.In the title compound, C DOI: 10.1107/S1600536809031730/fb2157Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two N-heterocycles both chelate the metal atom.The chloride and chloro\u00addifluoro\u00adacetate anions occupy DOI: 10.1107/S1600536808010829/sg2236Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ cation is in a distorted octa\u00adhedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid\u00adyl)-1H-pyrazole ligands. In the one-electron reduced heteropolyanion, two O atoms of the central PO4 group (M\u2014N bond lengths, whereas all other bond lengths, angles and the hydrogen-bonding motifs are very similar.The hydro\u00adthermally prepared title compound, [Ni(C DOI: 10.1107/S1600536810005945/wm2306Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Hf\u2014O\u2014C angle is nearly linear, and the C=O distance is slightly shorter than for equivalent alkoxy\u00adcarbenes. One of the cyclo\u00adpenta\u00addienyl (Cp) rings undergoes an offset face-to-face \u03c0\u2013\u03c0 inter\u00adaction [3.495\u2005(7)\u2005\u00c5] with the symmetry-related Cp ring of a neighbouring mol\u00adecule.The title compound, [HfW(C DOI: 10.1107/S1600536808025245/tk2291Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains a four-coordinate Hg2+ ion in a distorted tetra\u00adhedral geometry, which lies on a crystallographic twofold axis. The Hg2+ ion is bonded to two N atoms from two pyridine ligands and two carboxylate O atoms from two 5-amino-2,4,6-triiodo\u00adisophthalate anions. The two carboxyl\u00adate groups of individual 5-amino-2,4,6-triiodo\u00adisophthalate anions act as a bridge to the Hg centers. This anion also resides on a twofold axis, which passes through the amino N and the trans standing I atoms. The Hg\u2014O distance is 2.337\u2005(6) and the Hg\u2014N distance is 2.244\u2005(8)\u2005\u00c5.The reaction of mercury(II) chloride with 5-amino-2,4,6-triiodo\u00adisophthalic acid in pyridine solution leads to the formation of the title compound, [Hg(C DOI: 10.1107/S1600536808030468/fj2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one nickel complex and one methanol solvent mol\u00adecule. The dihedral angle between the aromatic ring planes of the central aromatic ring and other two aromatic rings are 10.8\u2005(3) and 6.0\u2005(2)\u00b0. The crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efBr and by intra\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title compound, [Ni(C DOI: 10.1107/S1600536809002104/hg2467Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II complex, [Zn2(C27H27N4O)2(C7H7O)2], the ZnII center is coordinated by two N atoms and one O atom of the ketiminate ligand and two bridging O atoms of the benzyl\u00adalkoxy groups. The geometry around the ZnII ions is distorted trigonal-bipyramidal.In the title centrosymmetric dimeric Zn DOI: 10.1107/S1600536809024544/bt2979Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic ligand acts as a bidentate ligand bridging two neighboring Cu centers through the bonds to the N atom of the pyridine ring and the double bond of the allyl group. Weak Cu\u22efCl [3.136\u2005(8)\u2005\u00c5), C\u2014H\u22efCl and C\u2014H\u22efN inter\u00adactions connect the coordination polymers into a three-dimensional structure.The title compound, [CuCl(C DOI: 10.1107/S1600536808013895/gk2142Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds form R 2 2(10) and R 2 2(16) ring motifsIn the title compound, C DOI: 10.1107/S1600536810005428/lh2992Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate groups of pyrazine-2-carboxyl\u00adate and oxalate ligands link the lanthanum metal centres, forming layers parallel to (10In the title complex, [La(C DOI: 10.1107/S1600536808041664/dn2413Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808025452/hy2145Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate groups link adjacent praseodymium metal centres, forming layers parallel to the bc plane. The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title complex, [Pr(C DOI: 10.1107/S160053680900542X/rz2293Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anion, the chloro substituent is disordered over two rings (occupancy ratio 0.81:0.19); the two chloro\u00addifluoro\u00admethyl groups are also disordered over two sites for their halogen atoms (occupancy ratios 0.72:0.28 and 0.70:0.30).In the title salt, [Ag(C DOI: 10.1107/S1600536808014128/bq2076Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pt atom has an octa\u00adhedral coordination. In the crystal structure, inter\u00admolecular N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds result in the formation of a supra\u00admolecular structure. There is a \u03c0\u2013\u03c0 contact between the pyridine rings [centroid\u2013centroid distance = 4.235\u2005(1)\u2005\u00c5].The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808025257/hk2508Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three O atoms are arranged fac, as are the three S atoms.In the title compound, [Co(C DOI: 10.1107/S1600536808011598/hy2130Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent mol\u00adecules are linked by N\u2014H\u22efOnitro hydrogen bonds, producing a linear chain that runs along the b axis of the unit cell.The mol\u00adecule of the title compound, C DOI: 10.1107/S1600536808022691/im2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII cation lies on an inversion centre, as a consequence of which the asymmetric unit comprises one half-mol\u00adecule. The four O atoms belonging to two pentane-2,4-dionate ligands lie in the equatorial plane and two pyridyl N atoms occupy the axial coordination sites.In the title compound, [Ni(C DOI: 10.1107/S1600536808018552/kp2176Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the least-squares planes through the chelate ring and Cl\u2014Hg\u2014Cl atoms is 85.4\u2005(1)\u00b0. The phenyl ring on the bpma ligand is twisted out of the pyridine plane, forming a dihedral angle of 76.0\u2005(3)\u00b0. Disorder in this ring is also noted with two coplanar conformations having equal site occupancies.The Hg atom in the title compound, [HgCl DOI: 10.1107/S1600536808040695/tk2337Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Corner-sharing PbCl6 octa\u00adhedra extend parallel to the ac plane. Adjacent layers are staggered relative to one another, with diammonium cations separating these layers. The cations exhibit via N\u2014H\u22efCl hydrogen bonding in the right-angled halogen sub-type of the terminal halide hydrogen-bonding motif.The title compound, {(C DOI: 10.1107/S1600536810016818/wm2339Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42\u2005(1) and 1.38\u2005(1)\u2005\u00c5 for the C\u2014C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5\u2005(1)\u00b0.The structure of the title compound, [Ru(C DOI: 10.1107/S1600536809042731/lh2927Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex crystallizes with three triphenyl\u00adphosphine ligands coordinated to the copper centre, with an O\u2014H\u22efO hydrogen bond observed between the nitrate ligand and the methanol solvent mol\u00adecule. The coordination around the CuI centre is distorted tetrahedral.The title compound, [Cu(NO DOI: 10.1107/S1600536809004620/lx2086Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation is located across a twofold axis and the ZnII atom of the anion is located on the other twofold axis. The centroid\u2013centroid distance between parallel pyridine rings of neighboring mol\u00adecules is 3.699\u2005(3)\u2005\u00c5, but the face-to-face separation of 3.601\u2005(3)\u2005\u00c5 suggests there is no significant \u03c0\u2013\u03c0 stacking in the crystal structure.The crystal of the title compound, (C DOI: 10.1107/S1600536808038932/xu2462Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one-half of the complex and two water mol\u00adecules of solvation. The Zn atom occupies a special position on an inversion centre. This results in a slightly distorted octa\u00adhedral coordination environment, which consists of the O atoms from two phospho\u00adnic acids and four water mol\u00adecules. The crystal structure displays N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonding, which creates a three-dimensional network.The title compound, [Zn(C DOI: 10.1107/S1600536809010599/fj2201Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mn\u2014O bond lengths are in the range 2.1281\u2005(13)\u20132.2011\u2005(12)\u2005\u00c5 and the Mn\u2014N bond lengths are 2.269\u2005(2) and 2.278\u2005(2)\u2005\u00c5. Mn(II) atoms are double-bridged along the a axis by two pairs of bi-monodentate carboxyl groups, forming a double-stranded chain, while the bidentate 4,4\u2032-bipyridine ligand bridges the Mn atom along the b axis. This results in a two-dimensional structure constructed of oblong grids with the sides of length 11.634 and 5.075\u2005\u00c5The Mn atom in the title compound, [Mn DOI: 10.1107/S1600536810034495/br2146Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water mol\u00adecule and the L ligand are situated across a twofold rotation axis. The MnII atoms are bridged by 1,4-ndc and L ligands, forming a three-dimensional network. O\u2014H\u22efO hydrogen bonds are observed within the network.In the title compound, [Mn DOI: 10.1107/S1600536808036787/ci2711Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two essentially planar quinoline ring systems is 45.02\u2005(9)\u00b0. In the crystal structure, an extensive O\u2014H\u22efO hydrogen-bonding network forms layers parallel to the ab plane.In the title compound, [Cu(SO DOI: 10.1107/S1600536808001980/lh2587Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting geometry is distorted octa\u00adhedral within a ClN2O3 donor set.In the title complex, [Fe(C DOI: 10.1107/S1600536809031432/tk2520Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hy\u00addroxy unit of the neutral ligand is a hydrogen-bond donor to the methanol O atom and the alk\u00adoxy O atom of the monoanionic ligand is a hydrogen-bond acceptor to the methanol O atom. In the crystal, adjacent mol\u00adecules are linked by these two hydrogen bonds, generating a chain running along the a axis.The title compound, [ZnBr(C DOI: 10.1107/S160053681003672X/bt5356Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "V atom in the title compound, [VO(C7H7N2O)(C10H8N2O3)], is N,O-chelated by the benzohydrazidate anion and O,N,O\u2032-chelated by the 2-(benzoyl\u00adhydrazono)propionate dianion. The distorted octa\u00adhedral trans-N2O4 coordination geometry is completed by the vandadyl O atom. Mol\u00adecules are linked by N\u2014H\u22efO hydrogen bonds into a supra\u00admolecular chain structure parallel to [010].The V DOI: 10.1107/S1600536809009520/tk2396Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is coordinated by four S atoms in a square-planar geometry. In the cation, the dihedral angle between the benzene and pyrazine rings is 85.2\u2005(2)\u00b0.In the crystal structure of the title compound, (C DOI: 10.1107/S1600536808034776/is2350Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centre is coordinated in the basal sites by one water mol\u00adecule and two carboxyl\u00adate O atoms and one N atom of the tetra\u00addentate ligand while the apical site is occupied by a hydro\u00adquinone O donor atom . Inter\u00admolecular hydrogen bonding inter\u00adactions involving both hydro\u00adquinone hydr\u00adoxy groups and the coordinated water as donors give a three-dimensional framework structure.The title complex, [Cu(C DOI: 10.1107/S1600536809042238/zs2013Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the chain, the ZnII atom adopts a slightly distorted octa\u00adhedral coordination geometry involving four water mol\u00adecules at the equatorial positions. The noncoordinated benzene-1,4-dicarboxyl\u00adate anion, which is also located on a twofold rotation axis, bridges adjacent chains through O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supra\u00admolecular network.In the title compound, {[Zn(C DOI: 10.1107/S1600536809019412/is2415Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hydroxyl group acts as a donor, forming an intra\u00admolecular O\u2014H\u22efN hydrogen bond.In the title compound, [Zn(C DOI: 10.1107/S1600536809001949/hy2173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both PbBr6 octa\u00adhedra and the organic cation exhibit via N\u2014H\u22efBr hydrogen bonding in the right-angled halogen sub-type of the terminal halide hydrogen-bonding motif.The title compound, {(C DOI: 10.1107/S1600536810016806/wm2338Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is also a non-coordinating Cl\u2212 anion in the crystal structure. The CuII atom and both Cl atoms are situated on fourfold rotation axes. A weak C\u2014H\u22efCl inter\u00adaction is also present.In the mol\u00adecular structure of the title compound, [CuCl(C DOI: 10.1107/S1600536809041816/im2137Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053680904495X/hb5192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pb atom is chelated by nitrate and substituted quinolin-8-olate anions. The O atom of the quinolin-8-olate also bridges, to confer a six-coordinate status on the metal centre. When a longer Pb\u22efO inter\u00adaction is considered, the geometry approximates a \u03a8-cube in which one of the sites is occupied by a stereochemically active lone pair.The mol\u00adecule of the title compound, [Pb DOI: 10.1107/S1600536809003547/tk2363Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thia\u00adzole ring forms dihedral angles of 83.7\u2005(2) and 34.4\u2005(2)\u00b0 with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The mol\u00adecular conformation is stabilized by an intra\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adaction. The crystal packing features inter\u00admolecular C\u2014H\u22efN, C\u2014H\u22efO hydrogen bonds and weak C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S160053681003638X/rz2480Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [Ag(CN)2]\u2212 anions are situated within cavities created by the phenanthroline ligands of adjacent [Ni(phen)3]2+ cations. Some short C\u2014H\u22efO and C\u2014H\u22efN inter\u00adactions may help to establish the packing.The title compound, [Ni(C DOI: 10.1107/S1600536808031413/hb2786Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure consists of \u03bc-N:N\u2032 pyrazine-bridged cobalt cyanate chains; these are further linked by additional \u03bc-N:N\u2032-bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis. The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3.In the crystal structure of the title compound, [Co(NCO) DOI: 10.1107/S1600536809005686/bt2872Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [EuBr6]3\u2212 anions are located at the corners and face-centres of the monoclinic unit cell. Characteristic hydrogen-bonding inter\u00adactions can be observed between the bromide anions and the acidic H atoms of the imidazolium cations.The crystal structure of the title compound, (C DOI: 10.1107/S1600536808018382/hg2399Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridone plane is twisted out of the 1,10-phenanthroline mean plane by 43.8\u2005(3)\u00b0. In the crystal structure, short inter\u00admolecular distances [3.627\u2005(4)\u20133.671\u2005(4)\u2005\u00c5] between the centroids of the six- and five-membered Cd-containing rings suggest the existence of \u03c0\u2013\u03c0 inter\u00adactions, which link the mol\u00adecules into stacks along the a axis.In the title mononuclear complex, [CdCl DOI: 10.1107/S1600536808019740/cv2426Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Geometric parameters are in the usual ranges. The cadmium cation is octa\u00adhedrally coordinated by four Cl atoms at equatorial sites and two O atoms from two ligands at the axial sites. The material is composed of one-dimensional extended polymeric chains in which two Cl atoms bridge Cd atoms. The crystal structure is stabilized by an intra\u00admolecular N\u2014H\u22efO hydrogen bond.The title compound, [CdCl DOI: 10.1107/S1600536808023179/bx2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, mol\u00adecules are linked by bifurcated N\u2014H\u22ef hydrogen bonds, generating [001] chains.In the title compound, C DOI: 10.1107/S1600536810010810/hb5367Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anion, the coordination around the Ni atom is a distorted square. In the cation, the aromatic rings are oriented at a dihedral angle of 7.81\u2005(3)\u00b0. In the crystal structure, inter\u00admolecular C\u2014H\u22efN hydrogen bonds link the cations and anions. \u03c0\u2013\u03c0 Contacts between the nickel dithiol\u00adene and pyridine rings and between the benzene and pyridine rings, may further stabilize the structure.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536809001159/hk2608Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809024015/tk2481Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chromium center is coordinated by two N atoms of the chelating diimine ligand, two chloride ions in a trans configuration with respect to each other, and by two N atoms of two acetonitrile mol\u00adecules in a distorted octa\u00adhedral geometry.The title compound, [CrCl DOI: 10.1107/S1600536809040094/im2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The piperidine ring adopts a distorted boat conformation in both mol\u00adecules, in which the N atom assumes an almost planar configuration.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536809045358/ci2956Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The organic sheets are inter\u00adlinked through weak C\u2014H\u22efO hydrogen bonds, while they inter\u00adact with the anionic part via strong charge-assisted N+\u2014H\u22efCl\u2014Hg hydrogen bonds. The [HgCl4]2\u2212 anions are bis\u00adected by a mirror plane passing through the metal and two of the chloride ions.The title compound, (C DOI: 10.1107/S1600536808038415/bg2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the five-membered rings of the ligands are 4.1\u2005(2), 9.4\u2005(2) and 10.5\u2005(2)\u00b0. In the crystal, mol\u00adecules are linked by N\u2014H\u22efN hydrogen bonds, generating a layered network lying in (11In the title compound, [Co(C DOI: 10.1107/S1600536810011785/hb5377Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is a \u03c0\u2013\u03c0 contact between the pyridine rings [centroid\u2013centroid distance = 3.775\u2005(6)\u2005\u00c5].In the mol\u00adecule of the title compound, [HgI DOI: 10.1107/S1600536808028791/hk2525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Na atoms are disordered over three sites .The crystal structure of the title compound, 2Na DOI: 10.1107/S1600536808024331/bt2752Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule has a hydrogen bond between the NH group and the chloride anion.In the crystal structure of the title compound, C DOI: 10.1107/S1600536809049587/hg2599Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystallographic inversion centre forces the value of the C\u2014N\u2014N\u2014C torsion angle to be linear and the 3,4-dimethyl-pyridine ligands to be coplanar.In the title compound, DOI: 10.1107/S1600536808041597/kj2108Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the metal centre is surrounded by one carbonyl ligand, one triphenyl\u00adphosphine ligand and the bidentate neocupferrate ligand, forming a distorted square-planar RhCO2P coordination set which is best illustrated by the small O\u2014Rh\u2014O bite angle of 77.74\u2005(10)\u00b0. There are no classical hydrogen-bond inter\u00adactions observed for this complex.The title compound, [Rh(C DOI: 10.1107/S1600536809047321/wm2279Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The O atoms of the 12-crown-4 ether form the basal plane, whereas the N atom of the trideutero\u00adaceto\u00adnitrile occupies the apical position. The Li+ atom is displaced by 0.794\u2005(6)\u2005\u00c5 toward the apical position from the plane formed by the O atoms because the Li+ atom is too large to fit in the cavity of the 12-crown-4 ether, resulting in a distorted square-pyramidal geometry about the Li+ atom.In the title compound, [Li(C DOI: 10.1107/S1600536810009530/si2247Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [Nd(C8H3NO6)(H2O)2]2+ units are bridged by 5-nitro\u00adisophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds, and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.5533\u2005(11)\u2005\u00c5]. The 5-nitro\u00adisophthalate(1\u2212) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol\u00adecules are disordered over two positions, with occupancy ratios of 0.722\u2005(15):0.278\u2005(15) and 0.279\u2005(6):0.221\u2005(6), respectively.In the title compound, {[Nd(C DOI: 10.1107/S1600536809032486/ci2868Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two imidazole rings is 16.1\u2005(2)\u00b0. The O atoms of the nitrate anion are disordered over two positions; the site occupancy factors are 0.8 and 0.2. The ions are \u00adconnected by C\u2014H\u22efO inter\u00adactions, while two weak intra\u00admolecular C\u2014H\u22efO inter\u00adactions producing an S(6) ring motif are observed. The nitrate anion is linked to the hydroxyl groups of two neighbouring cations by O\u2014H\u22efO hydrogen bonds. The ions are packed into infinite chains along the [100] direction.In the title compound, [Ag(C DOI: 10.1107/S1600536808009860/ez2123Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each NiII ion is coordinated by two pyridine rings, which form dihedral angles of 33.0\u2005(2) and 11.0\u2005(2)\u00b0 for the two centers, and four chloride anions in a distorted octa\u00adhedral geometry. The chloride anions bridge NiII ions related by translation along the short b axes into two crystallographically independent polymeric chains.The asymetric unit of the title compound, [NiCl DOI: 10.1107/S1600536810001820/cv2682Isup2.rtv Rietveld powder data: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cyclo\u00adpenta\u00addienyl (Cp) ligand occupies the apical position of the piano-stool configuration. The average Mo\u2014P bond length of the two trans PMe3 ligands is 2.474\u2005(5)\u2005\u00c5 and the Mo\u2014Cp centroid distance is 2.003\u2005(2)\u2005\u00c5.In the title compound, [Mo(C DOI: 10.1107/S1600536808032662/dn2388Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging dca anions lead to a polymeric chain propagating in [100].In the title compound, [Cd(C DOI: 10.1107/S1600536808044000/hb2881Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuI ion is coordinated by four S atoms of the TSCZ ligands, forming a tetra\u00adhedral geometry. Centrosymmetric dimers are formed by two coordination tetra\u00adhedra sharing a common edge, with a Cu\u22efCu distance of 2.8236\u2005(14)\u2005\u00c5. The I\u2212 ion does not have any direct inter\u00adaction with the metal. The crystal structure is stabilized by weak N\u2014H\u22efN, N\u2014H\u22efS and N\u2014H\u22efI hydrogen bonds, forming a three-dimensional network structure.The title compound, [Cu DOI: 10.1107/S1600536808014001/cf2195Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is assembled via hydrogen-bonding inter\u00adactions of two kinds, N(pyridine/amine)\u2014H\u22efBr\u2014Sn, along with C\u2014Br\u22efBr\u2014Sn interactions [3.4925\u2005(19)\u2005\u00c5]. The cations are involved in \u03c0\u2013\u03c0 stacking, which adds an extra supra\u00admolecularity as it presents a strong case of offset-face-to-face motifs [centroid\u2013centroid distance = 3.577\u2005(3)\u2005\u00c5]. The inter\u00admolecular hydrogen bonds, short Br\u22efBr inter\u00adactions and \u03c0\u2013\u03c0 stacking result in the formation of a three-dimensional supra\u00admolecular architecture.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536809015189/hk2669Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All the tetra\u00adhedra are connected by corner-sharing into four-membered-ring (4MR) secondary building units containing two CuO4, one GeO2(OH)2 and one GeO3(OH) entity. The 4MRs form chains by corner-sharing the Cu unit and adjacent chains are linked by H2Ge2O7 4\u2212 dimers, generating layers containing ten-membered rings. Three sodium cations (one with site symmetry In the hydro/solvothermally synthesized title compound, Na DOI: 10.1107/S1600536809007715/hb2913Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Hydrogen bonds of the O\u2014H\u22efO and O\u2014H\u22efN types lead to the formation of layers parallel to (100).In the title compound, [Mn(C DOI: 10.1107/S1600536809023253/dn2463Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ru atom exhibits a distorted octa\u00adhedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three chloride atoms occupying the other three sites. The N\u2014C bond lengths of the N\u2014C\u2014N unit of the pyrimidinium cation are shorter than the average single C\u2014N bond length of 1.48\u2005\u00c5, thus showing double-bond character, indicating a partial electron delocalization within the N\u2014C\u2014N fragment. The pyrimidine ring has an envelope conformation. Four inter\u00admolecular C\u2014H\u22efCl hydrogen bonds generate a three-dimensional hydrogen-bonded framework.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808042773/hg2457Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "L) and the title silver(I) complex, namely bis\u00ad[\u03bc-1--2-naphthol]bis\u00ad{[1--2-naphthol]silver(I)} dinitrate monohydrate, [Ag2(C13H10N4O)4](NO3)2\u00b7H2O, were synthesized. Each silver center in the dimeric complex (related by an inversion centre) is coordinated by two bridging L ligands and one additional L ligand in a monodentate fashion, exhibiting a distorted trigonal-planar coordination. The discrete dimers are further linked through O\u2014H\u22efO hydrogen bonds and weak \u03c0\u2013\u03c0 stacking inter\u00adactions [the shortest atom\u2013atom separation is ca 3.46\u2005\u00c5 between the parallel stacking pairs]. Intramolecular O\u2014H\u22efN hydrogen bonds are also present.The new ligand 1--2-naphthol ( DOI: 10.1107/S1600536809004760/wk2097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is located in close proximity to the pyridine ligands with weak C\u2014H\u22efF inter\u00adactions apparent. The P2CuN2 coordination geometry is pseudo-tetra\u00adhedral, with P\u2014Cu\u2014P and N\u2014Cu\u2014N angles of 116.02\u2005(6) and 101.5\u2005(2)\u00b0, respectively.The title compound, [Cu(C DOI: 10.1107/S1600536808008386/ng2437Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ru\u2014N distances are in the range 2.036\u2005(2)\u20132.084\u2005(2)\u2005\u00c5 with the exception of the central Ru\u2014N bond from the terpyridyl ligand, which is shorter [1.9503\u2005(19)\u2005\u00c5], as expected. The pendant dimethoxy\u00adphenyl substituent is not coplanar with the terpyridyl unit; the dihedral angle between the central pyridyl ring and the benzene ring is 46.72\u2005(11)\u00b0. The anion is disordered equally over two positions around an F\u2014P\u2014F bond axis.In the title compound, [RuCl(C DOI: 10.1107/S1600536809032589/is2438Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the planes of the substituted Cp ring and the major and minor components of the disordered ring are 0.8\u2005(3) and 3.4\u2005(6)\u00b0, respectively. The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming zigzag chains running parallel to the a axis.In the structure of the title compound, [Fe(C DOI: 10.1107/S1600536809023575/rz2334Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The unique MnII ion is located on a crystallographic inversion center and is coordinated by two \u2013NH2 and two \u2013SO3 groups from four 4-amino\u00adbenzene\u00adsulfonate ligands and by two water mol\u00adecules in the axial positions, forming a slightly distorted octa\u00adhedral coordination environment. The 4-amino\u00adbenzene\u00adsulfonate anions behave as \u03bc2-bridging ligands to produce a two-dimensional structure. In the crystal structure, inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the layers into a three-dimensional network.The title compound, {[Mn(NH DOI: 10.1107/S1600536808025579/lh2671Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the pyridine rings and the mean planes of the 1,10-phenanthroline ring system in each of the 1--2-pyridone (PP) ligands is 24.51\u2005(10)\u00b0 for the tridendate PP ligand and 73.55\u2005(6)\u00b0 for the bidentate PP ligand. Within the mol\u00adecule there is a weak \u03c0\u2013\u03c0 inter\u00adaction between the pyridine ring of the bidentate ligand and the 1,10-phenanthroline ring system of the tridendate ligand with a centroid\u2013centroid distance of 3.6383\u2005(19)\u2005\u00c5.In the title mononuclear complex, [Zn(ClO DOI: 10.1107/S1600536809025355/lh2853Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one CuII ion, one 3,5-dinitro-2-oxidobenzoate ligand and a 3-hydroxy\u00adpyridine ligand. Coordination by one N atom and three O atoms from two different 3,5-dinitro-2-oxidobenzoate ligands and a 3-hydroxy\u00adpyridine ligand creates a square-planar CuII center, which is augmented by a less tightly bonded fifth phenol O atom to form a square-pyramidal five-coordinate complex with an essentially planar base. The double-stranded chains are stabilized by intra\u00adchain \u03c0\u2013\u03c0 inter\u00adactions [the centroid-to-centroid distance between adjacent aromatic rings is 3.719\u2005(7)\u2005\u00c5], and further linked through O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supra\u00admolecular network.A new coordination polymer, [Cu(C DOI: 10.1107/S1600536808009392/zl2099Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both Cu atoms are four-coordinate in a square-planar geometry. In addition, there is one water mol\u00adecule in the asymmetric unit. The crystal structure is stabilized by O\u2014H\u22efO and O\u2014H\u22efBr hydrogen bonds.The title compound, [Cu DOI: 10.1107/S1600536808018357/bt2726Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one-sixth of a mixed-valent Mo pseudo-Keggin-type [PMo12O40]6\u2212 anion and half a piperazinediium cation, (H2pip)2+. The discrete Keggin-type [PMo12O40]6- anion has 2pip)2+ cations each have 4 tetra\u00adhedron. Furthermore, six doubly bridging oxide groups are also disordered with an occupancy factor of 0.5 for each O atom. The anions and cations are linked by an extensive network of inter\u00admolecular N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.The title compound, (C DOI: 10.1107/S1600536810002473/si2235Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "O\u2014H\u22efO hydrogen bonds link the complexes and uncoordinated water mol\u00adecules into two-dimensional networks parallel to (001).In the title compound, [Ni(C DOI: 10.1107/S1600536809022028/bi2378Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The face-to-face separation of 3.561\u2005(5)\u2005\u00c5 between parallel pyridine rings indicates the existence of weak \u03c0\u2013\u03c0 stacking between the pyridine rings. The structure also contains inter\u00admolecular O\u2014H\u22efO hydrogen bonding and weak C\u2014H\u22efO hydrogen bonding.In the mol\u00adecule of the title compound, [Ni(C DOI: 10.1107/S1600536808010076/om2227Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, adjacent mol\u00adecules are linked via pairs of N\u2014H\u22efO hydrogen bonds into chains propagating in [010].In title compound, [Cu(C DOI: 10.1107/S1600536809044262/hb5128Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ir\u2014N(diazen\u00adyl) bond is longer than the Ir\u2014N(pyrrolate) bond. The structure is stabilized by aromatic \u03c0\u2013\u03c0 stacking, the shortest parallel distance between ring centroids being 3.426\u2005(8)\u2005\u00c5..In the title compound, [Ir(C DOI: 10.1107/S1600536808004443/at2539Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, each of the two LiI ions has a distorted tetra\u00adhedral geometry, coordinated by two carboxyl\u00adate O atoms, one carboxyl O atom and one ethanol O atom. The carboxyl\u00adate group bridges the LiI ions, forming a one-dimensional polymeric chain along [100]. The crystal structure is further stabilized by O\u2014H\u22efO and C\u2014H\u22efN hydrogen bonding, and \u03c0\u2013\u03c0 inter\u00adactions with centroid\u2013centroid distances in the range 3.6534\u2005(13)\u20133.8374\u2005(13)\u2005\u00c5.The asymmetric unit of the title polymeric compound, [Li DOI: 10.1107/S1600536809026385/is2436Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion in each mol\u00adecule is six-coordinated in an elongated octa\u00adhedral geometry, with the equatorial plane defined by four pyridine N atoms of four amino\u00adpyridine ligands and the axial positions occupied by two Cl atoms. In the crystal structure, mol\u00adecules are linked into a three-dimensional framework by C\u2014H\u22efCl, O\u2014H\u22efCl, N\u2014H\u22efO, N\u2014H\u22efCl and N\u2014H\u22efN hydrogen bonds and C/N\u2014H\u22ef\u03c0 inter\u00adactions involving the pyridine rings.The asymmetric unit of the title compound, [CuCl DOI: 10.1107/S1600536808015778/ci2603Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV compound, [Sn4(C7H6Cl)8Cl2O2(OH)2], has site symmetry 2\u2212 and two OH\u2212 anions bridge four SnIV cations to form the tetra\u00adnuclear compound. The two independent SnIV cations assume SnO3C2 and SnO2C2Cl distorted trigonal-bipyramidal coordination geometries. Intra\u00admolecular O\u2014H\u22efCl hydrogen bonding is present in the structure. One Cl atom of a chloro\u00adbenzyl ligand is disordered over two sites with an occupancy ratio of 0.693\u2005(2):0.307\u2005(2).The title tetra\u00adnuclear Sn DOI: 10.1107/S1600536809045176/xu2652Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene-1,4-dicarboxyl\u00adate and succinate anions bridge the anti\u00adprisms, forming a three-dimensional network. The succinate anion is located on a centre of inversion. The structure is isomorphous with the Dy, Gd, Er and Nd complexes.In the title compound, [Tb DOI: 10.1107/S1600536808011355/bt2699Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polyoxoanions are linked together via the bipyridyl cations, acting as hydrogen-bond donors, generating a two-dimensional supra\u00admolecular network. The asymmetric unit contains 1.5 4,4\u2032-bipyridinium (H2bpy) units, with an inversion centre in the central bond of the second H2bpy unit. The site symmetry of the anion is The title compound, tris\u00ad diarsenoocta\u00addeca\u00admolybdate(VI), (C DOI: 10.1107/S1600536809050260/fi2091Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In turn, these clusters are linked by tethering 1,4-bis\u00ad(3-pyridylmeth\u00adyl)piperazine (3-bpmp) ligands into [Cd22(3-bpmp)(H2O)4]n coordination polymer chains. The chain motifs are oriented parallel to [1via O\u2014H\u22efN and O\u2014H\u22efO hydrogen-bonding mechanisms.In the title compound, [Cd DOI: 10.1107/S1600536810018799/lh5049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [SnCl6]2\u2212 anion is located on an inversion center and forms a quasi-regular octa\u00adhedral arrangement. Hydrogen-bonding inter\u00adactions of two kinds, viz. N\u2014H\u22efCl\u2014Sn and C\u2014H\u22efCl\u2014Sn, along with Cl\u22efBr inter\u00adactions [3.4393\u2005(15)\u2005\u00c5], connect the ions in the crystal structure into two-dimensional supra\u00admolecular arrays. These supra\u00admolecular arrays are arranged in layers approximately parallel to (110) built up from anions inter\u00adacting with six symmetry-related surrounding cations.The asymmetric unit of the title compound, (C DOI: 10.1107/S160053680800901X/bh2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are extensive \u03c0\u2013\u03c0 contacts between the pyridine rings .In the title compound, [FeCl DOI: 10.1107/S1600536809041439/hb5133Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmteric unit is composed of one ligand molecule and one HgII ion, which is disordered over two sites, one lying on an inversion center and the other on a general position with site-occupancy factors of 0.2378\u2005(7) and 0.3811\u2005(7), respectively. The monomeric mol\u00adecules of the complex are linked into pairs through non-classical C\u2014H\u22efN hydrogen bonds. The resulting dimeric units are assembled by translation along the crystallographic c axis into chains linked through secondary \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.685\u2005(2) and 3.574\u2005(2)\u2005\u00c5], as well as C\u2014H\u22ef\u03c0 stacking inter\u00adactions, resulting in a two-dimensional architecture.In the title compound, [Hg(C DOI: 10.1107/S1600536809035326/pv2202Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four nearest O atoms around each ZnII atom form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the 4-(dimethyl\u00adamino)pyridine ligand. In the crystal structure, weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions link the mol\u00adecules into infinite chains. The chains are further linked by weak C\u2014H\u22ef\u03c0 inter\u00adactions, forming a three-dimensional network.In the centrosymmetric title binuclear complex, [Zn DOI: 10.1107/S1600536809027603/hk2733Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The negatively charged O atom of the glycerolate anion is in an equatorial position, and the O atom of the hydroxo group, attached to the secondary C atom, occupies an axial position completing a five-membered non-planar chelate ring; this defines the asymmetric unit. The Na+ cation is coordinated by three other symmetry-related monodentate H2gl\u2212 ligands, so that each H2gl\u2212 ligand is bonded to four Na+ ions. The H2gl\u2212 ligands are connected via strong O\u2014H\u22efO hydrogen bonds and these, together with the Na\u22efO inter\u00adconnections, are responsible for the formation of polymeric sheets which propagate in the directions of the b and c axes.The Na DOI: 10.1107/S1600536810016077/tk2652Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each acetate anion bridges two CuII cations to form the centrosymmetric dinuclear complex. Within the dinuclear mol\u00adecule, the Cu\u22efCu separation is 2.6459\u2005(4)\u2005\u00c5. A parallel arrangement of isoquinoline ligands of adjacent complexes is observed in the crystal structure; the face-to-face distance of 3.610\u2005(10)\u2005\u00c5 suggests there is no \u03c0\u2013\u03c0 stacking between isoquinoline ring systems.In the crystal structure of the title compound, [Cu DOI: 10.1107/S1600536809025732/bq2151Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond distances for Sn\u2014C, Sn\u2014N and Sn\u2014O are in the ranges 2.097\u2005(3)\u20132.098\u2005(3), 2.298\u2005(2)\u20132.623\u2005(2) and 2.157\u2005(2)\u20132.266\u2005(2)\u2005\u00c5, respectively. The mol\u00adecular structure of the monomeric compound is stabilized by three intra\u00admolecular C\u2014H\u22efO hydrogen bonds, all involving bipyridine C\u2014H groups.In the crystal structure of the title compound, [Sn(CH DOI: 10.1107/S1600536808006090/im2056Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carbonate anion is planar within experimental error and has an average C\u2014O distance of 1.294\u2005(4)\u2005\u00c5. The crystal packing is stabilized by O\u2014H\u22efCl, O\u2014H\u22efO, N\u2014H\u22efCl and N\u2014H\u22efO hydrogen bonds. Two of the four independent chloride ions are disordered over five positions, and eight of the 12 independent water mol\u00adecules are disordered over 21 positions.The centrosymmetric title cluster, hexa\u00adaquadi-\u03bc DOI: 10.1107/S1600536810034999/ci5168Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions are present.In the crystal structure of the title compound, [Zn(C DOI: 10.1107/S1600536809042093/rk2173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Chelation is isobidentate for one dithio\u00adcarbamate ligand and anisobidentate for the other. The chloroform solvent mol\u00adecule is disordered over two positions of equal occupancy.In the title compound, [Cd(C DOI: 10.1107/S1600536809041294/xu2633Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Among the C atoms of the complexed arene ring, the quaternary C atom is located at the longest distance from the Fe atom. The F atoms of the PF6 \u2212 anion were found to be equally disordered over two sites.At 223\u2005(2)\u2005K, the complexed rings in the iron(II) complex cation of the title salt, [Fe(C DOI: 10.1107/S1600536808030523/rt2022Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "GdIII ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure.In the title compound, [Gd(C DOI: 10.1107/S1600536808012270/lh2617Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs. The crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efO hydrogen bonds.In the title mononuclear Schiff base complex, [Dy(NO DOI: 10.1107/S1600536809047436/rz2383Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The acid H atom of the ligand is distributed over two O atoms. In the crystal, a three-dimensional network is formed through O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds between the cations and anions.In the salt, (NH DOI: 10.1107/S1600536809042159/ng2665Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is a \u03c0\u2013\u03c0 stacking inter\u00adaction between the symmetry-related 1,10-phenanthroline ligands with a centroid\u2013centroid distance of 3.5578\u2005(16)\u2005\u00c5 and a perpendicular distance of 3.445\u2005(su?)\u2005\u00c5 between the relevant rings.In the title complex, [CdCl DOI: 10.1107/S1600536809032358/bt5029Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The iron(III) metal centre exhibits a distorted octa\u00adhedral coordination geometry provided by four N atoms from two bidentate organic ligands, one water O atom and one chloride anion. The pyridine and tetra\u00adzole rings are nearly coplanar [dihedral angles = 4.32\u2005(15) and 5.04\u2005(14)\u00b0]. In the crystal structure, inter\u00admolecular O\u2014H\u22efN hydrogen bonds link the complex mol\u00adecules into a two-dimensional network parallel to (100).The title compound, [Fe(C DOI: 10.1107/S160053680902443X/rz2339Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ru atom has a distorted octa\u00adhedral coordination with two cis-oriented chloride ligands and four dimethyl sulfoxide ligands. Three of the sulfoxide ligands are S-bonded in a fac configuration, while the fourth is O-bonded. The title compound represents a new, and fourth, polymorph of the complex. Two other monoclinic forms and an ortho\u00adrhom\u00adbic modification have been reported previously.The title compound, DOI: 10.1107/S160053680801996X/fj2125Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion is coordinated by three O atoms from the carboxyl\u00adate groups and three N atoms from three pyridine ligands in a distorted octa\u00adhedral coordination geometry. The 5-bromo\u00adisophthalate anion is planar within 0.057\u2005(2)\u2005\u00c5. The two carboxyl\u00adate groups of the ligand coordinate the NiII ions in a chelating and monodentate mode, linking the metal atoms into infinite chains along the [010] direction. These chains are stacked together via strong \u03c0\u2013\u03c0 inter\u00adactions between the pyridine rings [centroid\u2013centroid distance 3.601\u2005(4)\u2005\u00c5], forming a three-dimensional motif.The title compound, [Ni(C DOI: 10.1107/S1600536808018916/fj2127Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular structure displays a cobalt(I) center in a distorted trigonal-planar coordination environment, with one Cp and two phosphane ligands. There are two crystallographically independent mol\u00adecules in the asymmetric unit besides the disordered solvent molecules.The title compound, [Co(C DOI: 10.1107/S1600536808042268/im2092Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title salt, [N(CH3)3(C6H5)]2[SnBr4(C6H4Cl)2], exists in a distorted all-trans SnC2Br4 octa\u00adhedral geometry. The SnIV atom lies on a center of inversion. Weak inter\u00admolecular C\u2014H\u22efBr hydrogen bonding is observed between trimethyl\u00adphenyl\u00adammonium cations and the Sn complex anion in the crystal structure.The Sn DOI: 10.1107/S160053680904940X/xu2683Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the planes of the phenanthridine ring systems is 69.92\u2005(3)\u00b0. An intra\u00admolecular C\u2014H\u22efCl inter\u00adaction results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 8.32\u2005(3)\u00b0 with respect to the adjacent phenanthridine ring system. In the crystal structure, \u03c0\u2013\u03c0 contacts between the phenanthridine systems may stabilize the structure. Two weak C\u2014H\u22ef\u03c0 inter\u00adactions are also found.In the mol\u00adecule of the title compound, [ZnCl DOI: 10.1107/S160053680901959X/hk2696Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, there is a \u03c0\u2013\u03c0 stacking inter\u00adaction involving a pyridine ring and a symmetry-related benzene ring, with a centroid\u2013centroid distance of 3.5088\u2005(19)\u2005\u00c5.The asymmetric unit of the title compound, [CdCl DOI: 10.1107/S1600536810016910/lh5038Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex anion is approximately planar with a maximum deviation of 0.097\u2005(1)\u2005\u00c5. In the 1-(4-nitro\u00adbenz\u00adyl)-4-cyano\u00adpyridinium cation, the pyridine ring is twisted at a dihedral angle of 73.84\u2005(16)\u00b0 with respect to the benzene ring. \u03c0-\u03c0 stacking is observed between nearly parallel [dihedral angle = 4.71\u2005(7)\u00b0] dithiole and benzene rings, the centroid\u2013centroid distance being 3.791\u2005(2)\u2005\u00c5.In the title salt, (C DOI: 10.1107/S1600536810037426/xu5018Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine and pyrazine rings is 85.86\u2005(10)\u00b0. In the crystal structure, inter\u00admolecular O\u2014H\u22efN and O\u2014H\u22efS hydrogen bonds link complex mol\u00adecules into a three-dimensional network.In the title complex, [Co(NCS) DOI: 10.1107/S1600536808030882/lh2698Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "O\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds involving hydr\u00adoxy groups and one of coordinated Cl atoms link complexes in the crystal packing. There is a \u03c0\u2013\u03c0 stacking inter\u00adaction between adjacent 1,10-phenanthroline rings, with a distance of 3.675\u2005(2)\u2005\u00c5 between the centroids of the pyridine and benzene rings.In the title complex, [CdCl DOI: 10.1107/S1600536809037465/kp2226Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each AgI atom is coordinated by four O atoms from three different Hbtc3\u2212 ligands. The two AgI atoms are bridged by two bidentate carboxyl\u00adate groups into an Ag2O4 cyclic unit, with an Ag\u22efAg distance of 2.8189\u2005(3)\u2005\u00c5. In this way, the Ag atoms are connected by the Hbtc3\u2212 ligands into an extended two-dimensional layer structure. A three-dimensional network is accomplished through O\u2014H\u22efO hydrogen bonds between the anionic layers. The cationic guest Hdmap+ [dmap = 4-(dimethyl\u00adamino)pyridine] is trapped in the network and adheres to the layer by an N\u2014H\u22efO hydrogen bond.In the title compound, {(C DOI: 10.1107/S1600536809028839/hy2204Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A six-membered ring is formed by four N atoms from two ligands and the two CoII centers; the Co\u22efCo distance is 3.756\u2005(9)\u2005\u00c5.In the centrosymmetric dinuclear compound, [Co DOI: 10.1107/S1600536809021916/ng2584Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the six remaining carboxyl\u00adate groups bridges a Cr\u2013O\u2013Cr fragment. The cluster inter\u00adacts with the three solvent mol\u00adecules through water\u2013acetonitrile O\u2014H\u22efN hydrogen bonds. Adjacent clusters are linked by a water\u2013carboxylate O\u2014H\u22efO hydrogen bond to give a helical chain. One of the CCl3 groups was found to be disordered over two positions, with the major component having a site-occupancy factor of 0.64\u2005(1).In the crystal structure of the title compound, [Cr DOI: 10.1107/S1600536808025798/tk2293Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The RuII ion is chelated by a 10,11,12,13-tetra\u00adhydro\u00addipyridophenazine ligand and two 2,9-dimethyl-1,10-phenanthroline ligands in a distorted octa\u00adhedral geometry. The two uncoord\u00adinated water mol\u00adecules are disordered over five positions, with an occupancy factor of about 0.4 for each site. A supra\u00admolecular structure is formed by weak \u03c0\u2013\u03c0 inter\u00adactions between neighbouring mol\u00adecules, with centroid\u2013centroid distances of 3.618\u2005(2) and 3.749\u2005(2)\u2005\u00c5.The title compound, [Ru(C DOI: 10.1107/S1600536810002874/hy2273Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810016466/pk2244Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one FeII cation, located on a center of inversion, as well as one protonated (E)-4,4\u2032-dipyridinium dication and two thio\u00adcyanate anions in general positions. The crystal structure consists of Fe\u2014(NCS)2\u2014Fe chains extending along the a axis, in which two further thio\u00adcyanate anions are only terminally bonded via nitro\u00adgen. Non-coordinating (E)-4,4\u2032-dipyrid\u00adinium cations are found between the chains.In the title compound, {(C DOI: 10.1107/S160053681003624X/im2228Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene and pyridine rings are oriented at a dihedral angle of 70.75\u2005(3)\u00b0. The five-membered ring has an envelope conformation. There is a weak \u03c0\u2013\u03c0 inter\u00adaction between benzene rings, with a centroid-to-centroid distance of 3.975\u2005(4)\u2005\u00c5.In the mol\u00adecule of the title compound, [ZnI DOI: 10.1107/S1600536808020230/hk2486Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II ion in the title complex, [Zn(NCS)2(C7H6N2S)2], is tetra\u00adhedrally coordinated within an N4 donor set defined by two N atoms of two terminal isothio\u00adcyanate ligands and by two heterocyclic N atoms of two different 2-amino\u00adbenzothia\u00adzole ligands. This arrangement is stabilized by intra\u00admolecular N\u2014H\u22efN hydrogen bonds. In the crystal structure, mol\u00adecules are linked through N\u2014H\u22efS hydrogen bonds to form a two-dimensional array.The Zn DOI: 10.1107/S1600536809030931/tk2521Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the structure, the oxalate and 5-amino\u00adisophthalate ligands link the dysprosium ions, building up a two-dimensional metal\u2013organic framework parallel to the (10The title complex, [Dy(C DOI: 10.1107/S1600536809019199/dn2450Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ortho\u00adrhom\u00adbic form has previously been reported [Ma et al. to 2.333\u2005(3)\u2005\u00c5; a weak Cd\u2014O inter\u00adaction is also present, the inter\u00adatomic distance being 2.658\u2005(4)\u2005\u00c5. The CdII ions, which have a distorted penta\u00adgonal-bipyramidal geometry, are bridged by pyrazine-2,3-dicarboxyl\u00adato ligands, forming a zigzag chain structure. The chains are connected by O\u2014H\u22efO hydrogen bonds into a three-dimensional framework.The title complex, [Cd(C al. 2006. Acta Cr DOI: 10.1107/S1600536809028268/bt5003Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An O-bonded symmetry-related dianion completes the coordination of the metal. The bridging dianion results in a one-dimensional polymeric chain. Aromatic \u03c0\u2013\u03c0 stacking inter\u00adactions between ligands [centroid\u2013centroid separations = 3.528\u2005(2) and 3.741\u2005(2)\u2005\u00c5] and O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the chains together, leading to a three-dimensional supra\u00admolecular network.In the title compound, [Fe(C DOI: 10.1107/S1600536808027153/hb2771Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Acta Cr DOI: 10.1107/S1600536809051903/cv2664Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water mol\u00adecule is involved in three hydrogen bonds, viz. one N\u2014H\u22efO and two O\u2014H\u22efBr, and an N\u2014H\u22efBr inter\u00adaction consolidates the three-dimensional network.The metal atom in the anion of the title salt, (C DOI: 10.1107/S160053680902813X/tk2504Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing consists of a three-dimensional network via O\u2014H\u22efO hydrogen bonds between the coordin\u00adated water mol\u00adecules and the nitrate anions. The Ni atom lies on a special position , as does the carbonyl O atom.The title compound, [Ni(C DOI: 10.1107/S1600536809041221/fi2084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [Ca(pydc)3]4\u2212 anion has twofold crystallographic symmetry. It is a nine-coordinate CaII complex with a distorted tricapped trigonal-prismatic coordination geometry. The structure also contains four tataH+ cations and six uncoordinated water mol\u00adecules. There are extensive O\u2014H\u22efO, O\u2014H\u22efN, N\u2014H\u22efO, N\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds in the crystal structure.The title compound, (C DOI: 10.1107/S1600536808022873/om2249Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure features a centrosymmetric complex with three CoII centres, one of which is located on a centre of inversion. The Co centres are coordinated in a distorted octa\u00adhedral geometry. The bipyridine ligands are bonded to just one Co centre in a chelating mode, whereas the 5-nitro\u00adisophthalate and acetate ions are bonded to two different Co atoms. The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds.The title complex, [Co DOI: 10.1107/S1600536809012562/bt2923Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule is centrosymmetric and the NiII atom is located on an inversion center. Inter\u00admolecular O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds link the complex into a three-dimensional supra\u00admolecular framework.In the title compound, [Ni(C DOI: 10.1107/S1600536809047102/bg2306Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the structure, the CdII atom is six-coordinated by two azide anions and three pyrazine-2-carboxyl\u00adate ligands. Each pyrazine-2-carboxyl\u00adate ligand bridges three CdII atoms, whereas the azide ligand bridges two CdII atoms, resulting in the formation of a two-dimensional metal\u2013organic polymer developing parallel to the (100) plane.The title compound, [Cd(C DOI: 10.1107/S1600536809012227/dn2435Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure displays weak intra\u00admolecular C\u2014H\u22efBr hydrogen-bonding inter\u00adactions.In the title complex, [PtBr DOI: 10.1107/S160053680803208X/rz2250Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand ring system is not planar. The dihedral angle between the phenyl rings is 53.20\u2005(3)\u00b0 . In the crystal structure, \u03c0\u2013\u03c0 contacts between phenanthroline rings [centroid\u2013centroid distance = 3.981\u2005(1)\u2005\u00c5] may stabilize the structure.In the mol\u00adecule of the title compound, [Hg(NCS) DOI: 10.1107/S1600536809023228/hk2711Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, two inversion-related cations are linked to the anion via weak N\u2014H\u22efBr hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536809030323/lh2842Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII centre exists in an all cis-octa\u00adhedral coordination geometry.In the title compound, [Co(C DOI: 10.1107/S1600536809037878/bt5061Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two O,O\u2032-bis\u00ad(2-phenyl\u00admeth\u00adyl) dithio\u00adphosphate anions act as counter-ions to balance the charge and they inter\u00adact with the complex through N\u2014H\u22efS hydrogen bonds. Important geometric data include Ni\u2014N distances of 1.958\u2005(3) and 1.963\u2005(3)\u2005\u00c5.In the title salt-type 1:2 adduct, [Ni(C DOI: 10.1107/S1600536808008398/dn2324Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mononuclear complex displays a trigonal coordination geometry for the Cu(I) atom, which is surrounded by two P-atom donors from two different PPh3 ligands and one O-atom donor from the monodentate carboxyl\u00adate group of the sulfasalazinate ligand. The latter ligand is found in a zwitterionic form, with a deprotonated amine N atom and a protonated pyridine N atom. Such a feature was previously described for free sulfasalazine. The crystal structure is stabilized by C\u2014H\u22efO, C\u2014H\u22efN, N\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds.The title mixed-ligand copper(I) complex, [Cu(C DOI: 10.1107/S1600536810013899/bh2279Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mononuclear complexes are linked into centrosymmetric dimers by non-classical inter\u00admolecular C\u2014H\u22efN hydrogen bonds and by weak Hg\u2013\u03b73-arene \u03c0-inter\u00adactions [mean distance = 3.434\u2005(3)\u2005\u00c5]. The resulting dimeric units are assembled into zigzag chains by translation along the crystallographic c axis through secondary C\u2014H\u22ef\u03c0 edge-to-face benzene ring inter\u00adactions.To the central atom of the title compound, [HgBr(C DOI: 10.1107/S1600536809038732/om2271Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex displays a 0.591\u2005(3):0.409\u2005(3) ratio disorder of the phenyl unit of the monoanionic N,O-bidentate ligand. Intra\u00admolecular hydrogen bonding is observed between a C\u2014H group of the triphenyl\u00adphosphine unit and the O atom of the enamino\u00adketonate ligand.In the title compound, [Rh(C DOI: 10.1107/S1600536809039816/hy2218Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All interatomic distances, angles and the hydrogen bond geometry are very similar for the three structures..The title compound, [Pr(C DOI: 10.1107/S1600536809001500/at2681Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom forms five- and six-membered chelate rings with the O,N,O\u2032-tridentate ligand.The Sn atom of the title compound, [Sn(C DOI: 10.1107/S1600536809002426/hb2900Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1,2-bis\u00ad(dimethyl\u00adphosphino)ethane (dmpe) ligand chelates to form a five-membered C2P2Fe ring which is in a pseudo-half-chair conformation. In the crystal structure, associations of one cation and two anions are formed via weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds, giving rise to R 4 2(9) rings.In the title compound, [Fe(C DOI: 10.1107/S1600536807068651/hb2681Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The aromatic rings at either end of the \u2013C(=O)\u2013NH\u2013N=C\u2013 fragment are nearly parallel [dihedral angle = 3.4\u2005(5)\u00b0]. The hydr\u00adoxy group forms an intra\u00admolecular hydrogen bond to the imino N atom.The Schiff base, C DOI: 10.1107/S1600536809027949/ng2613Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three O atoms from three different nitrate ions in equatorial positions and two Ag atoms at axial positions set up a trigonal bipyramid. These units are linked by the phosphine ligands into endless helical chains that run along the c axis. The crystal used for the data collection was a racemic twin.The title compound, [Ag DOI: 10.1107/S1600536810019094/fk2018Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cd atom has a distorted tetrahedral coordination. Inter\u00admolecular C\u2014H\u22efI hydrogen bonds link the monomeric units, generating a one-dimensional supra\u00admolecular chain along the a axis.In the title compound, [CdI DOI: 10.1107/S1600536808030225/bq2097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation and anion are linked by an N\u2014H\u22efBr hydrogen bond.The anion in the title compound, (C DOI: 10.1107/S1600536808032248/tk2315Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In both 2--1,10-phenanthroline ligands, the 1,2,4-triazolyl ring and the 1,10-phenanthroline ring system are essentially coplanar . The dihedral angle between the mean planes of the ligands is 89.65\u2005(4)\u00b0. In the crystal structure, there is a weak \u03c0\u2013\u03c0 stacking inter\u00adaction between a pyridine ring and a symmetry-related benzene ring with a centroid\u2013centroid distance of 3.772\u2005(3)\u2005\u00c5.In the title complex, [Cd(C DOI: 10.1107/S1600536809038768/lh2911Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bulky cation is stabilized in a \u03b2-imino\u00adenamine tautomeric form, and presents a W-shaped conformation. The benzene rings are arranged almost parallel, with a dihedral angle of 6.58\u2005(4)\u00b0 between the mean planes. Both N\u2014H groups in the cation form strong hydrogen bonds with two symmetry-related chloride anions. The resulting supra\u00admolecular structure is a one dimensional polymer running along [001], alternating cations and anions. The \u03c0\u2013\u03c0 inter\u00adaction observed in the mol\u00adecule, characterized by a centroid\u2013centroid separation of 4.298\u2005(4)\u2005\u00c5, is thus extended to the chains, with separations of 5.222\u2005(4)\u2005\u00c5 between benzene rings of neighbouring cations in the crystal.The title salt, C DOI: 10.1107/S1600536809020571/fl2243Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atom is located on an inversion centre and is coordinated by two N atoms from two 5-hydroxy\u00adnicotinic acid ligands and four water mol\u00adecules in a distorted octa\u00adhedral geometry. The structure is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.The title compound, [Cd(C DOI: 10.1107/S1600536808035903/at2660Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, zigzag chains propagating in c are linked by C\u2014H\u22efO hydrogen bonds, and weak C\u2014H\u22ef\u03c0 inter\u00adactions link the chains.In the title compound, C DOI: 10.1107/S1600536809052623/hb5272Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex cations are linked by hydrogen bonds between the carboxyl groups into a chain. The chains are further connected through C\u2014H\u22efO hydrogen bonds and a weak Ag\u22efO inter\u00adaction [2.757\u2005(8)\u2005\u00c5] into a layer. Another Ag\u22efO inter\u00adaction [2.899\u2005(2)\u2005\u00c5] and a C\u2014H\u22efO hydrogen bond connect the layers into a three-dimensional network.In the title compound, [Ag(C DOI: 10.1107/S1600536808044206/hy2176Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII center is coordinated by six H2O mol\u00adecules in a distorted octa\u00adhedral coordination environment. In the crystal structure, intra- and inter\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the cations and anions into a three-dimensional network. \u03c0\u2013\u03c0 contacts between the tetra\u00adzole rings [centroid\u2013centroid distance = 3.346\u2005(1)\u2005\u00c5] may further stabilize the structure.The asymmetric unit of the title complex, [Co(H DOI: 10.1107/S1600536809028463/hk2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene groups are coplanar. The four coordinating N atoms of the two bidentate biimidazole ligands define the equatorial plane of a slightly distorted octa\u00adhedral CoO2N4 geometry, and the water O atoms lie in the axial coordination sites. Translational (a,via inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds into sheets parallel to (In the title compound, [Co(C DOI: 10.1107/S1600536809007764/si2153Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging carbonyl C\u2014C(=O)\u2014C plane makes dihedral angles of 45.55\u2005(6) and 28.62\u2005(7)\u00b0, respectively, with the naphthalene ring system and the benzene ring. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions stabilize the crystal packing.In the title compound, C DOI: 10.1107/S1600536810006859/bt5198Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The centrosymmetric complex cation involves intra\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.862\u2005(4)\u2005\u00c5] between the central pyridine and benzene rings. In the crystal structure, inter\u00admolecular C\u2014H\u22efO hydrogen bonds result in the formation of a supra\u00admolecular network.In the binuclear title complex, [Ag DOI: 10.1107/S1600536809046832/hy2238Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809032425/hb5049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom has a distorted trigonal\u2013bipyramidal coordination geometry comprising three O atoms of the two symmetry-related SO4 2\u2212 anions and two N atoms from one bis\u00admethane ligand.The mol\u00adecule of the title compound, [Cu DOI: 10.1107/S1600536808027840/cs2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III complex, [Eu2(CH3COO)6(C12H8N2)2], each EuIII cation is coordinated by seven O atoms from five acetate anions and two N atoms from one phenanthroline ligand in a distorted tricapped trigonal-prismatic geometry. Four acetate anions bridge two EuIII cations to form the dinuclear complex, with an Eu\u22efEu distance of 3.9409\u2005(8)\u2005\u00c5. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title centrosymmetric dinuclear Eu DOI: 10.1107/S1600536810015680/xu2753Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry is distorted tetra\u00adhedral, as the Zn\u2014N bond distances are shorter than the Zn\u2014Cl distances, and the Cl\u2014Zn\u2014N and Cl\u2014Zn\u2014Cl bond angles are much larger than the N\u2014Zn\u2014N angle. For the ligand, the O and C atoms of the meth\u00adoxy groups are almost in the plane defined by the phenanthroline ring. The two O atoms deviate from the phenanthroline mean plane by 0.076\u2005(2) and 0.084\u2005(2)\u2005\u00c5, and the two methyl C atoms deviate from the phenanthroline mean plane by 0.035\u2005(3) and 0.361\u2005(3)\u2005\u00c5. There are medium \u03c0\u2013\u03c0 stacking interactions between two parallel phenanthroline rings with a centroid\u2013centroid distance of 3.7860\u2005(2)\u2005\u00c5 and a dihedral angle between the plane defined by the two parallel phenanthroline rings of 1.13\u2005(5)\u00b0.In the crystal structure of the title compound, [ZnCl DOI: 10.1107/S160053680902491X/fj2228Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pt ion has an almost ideal octa\u00adhedral coordination. In the crystal structure, intra\u00admolecular N\u2014H\u22efCl and inter\u00admolecular C\u2014H\u22efCl hydrogen bonds result in the formation of a supra\u00admolecular structure.The asymmetric unit of the title compound, (C DOI: 10.1107/S160053680802881X/hk2526Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One ligand binds in the \u03ba3 mode, throuh three N atoms of the pyrazolyl rings, the other ligand coordinates through two N atoms of the pyrazolyl rings and the H atom attached to the central B via an agostic-type inter\u00adaction through the B\u2014H group of the second TptBu,Me ligand, giving an overall distorted octa\u00adhedral geometry. One of the tert-butyl groups is disordered over two sites, with occupancies of 0.65 and 0.35.In the title compound, [Yb(C DOI: 10.1107/S1600536809017152/lh2812Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, a chain is constructed via O\u2014H\u22efO hydrogen bonds involving the carboxyl\u00adate and hydroxyl groups of the organic anion; the chains are further connected into a three-dimensional framework by additional O\u2014H\u22efO hydrogen bonds between the [Co(H2O)6]2+ cations, solvent water mol\u00adecules and the anions.The title compound, [Co(H DOI: 10.1107/S1600536810037451/nk2059Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II coordination polymer, {[Mn2(C8H6O8)(H2O)3]\u00b7H2O}n, contains two crystallographic\u00adally independent MnII cations, two half butane-1,2,3,4-tetra\u00adcarboxyl\u00adato anions, each lying on a centre of inversion, and four water mol\u00adecules. The MnII cation has a distorted octa\u00adhedral coordination environment. One Mn centre is coordinated by four carboxyl\u00adate O atoms from two different anions and two water O atoms. The other Mn centre is coordinated by five carboxyl\u00adate O atoms from four different anions and one water O atom. One water mol\u00adecule does not coordinate to a Mn centre. The crystal packing is stabilized by several O\u2014H\u22efO hydrogen bonds, forming a three-dimensional framework.The asymmetric unit of the title Mn DOI: 10.1107/S1600536809042998/bt5105Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl\u00adene part of the alkyl chain in the cation adopts an all-trans conformation. In the crystal structure, mol\u00adecules are linked by inter\u00admolecular N\u2014H\u22efBr, O\u2014H\u22efBr and N\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536810010123/lx2141Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atom is coordinated by two Br ions and two N atoms in approximately square-planar geometry. In the crystal structure, inter\u00admolecular C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between benzotriazole rings (centroid\u2013centroid distance = 3.651\u2005\u00c5) generate a three-dimensional network.In the title complex, [CuBr DOI: 10.1107/S1600536808019260/kp2178Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three cations each form one N\u2014H\u22efBr hydrogen bond to the bromide anion. The crystal under investigation was a non-merohedral twin, with a portion of 22% for the minor twin component.The asymmetric unit of the title double salt, (C DOI: 10.1107/S1600536809007090/tk2380Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Symmetry-related Sn atoms are bridged by diisopropyl\u00addithio\u00adcarbamoylacetato ligands, forming a one-dimensional polymer along [001].In the title compound, [Sn(C DOI: 10.1107/S1600536810005933/lh2996Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu\u2014N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimerize by sharing two equatorial Cl atoms. N\u2014H\u22efCl, O\u2014H\u22efCl and N\u2014H\u22efO hydrogen bonds connect the anions, cations and water mol\u00adecules, forming a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808017455/sg2250Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex mol\u00adecules are linked into layers parallel to (001) by N\u2014H\u22efN hydrogen bonds, with the H atoms disordered over four symmetry-equivalent non-coordinated N atoms.In the title compound, [Mn(C DOI: 10.1107/S1600536809008411/bi2351Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni\u2014N bond distances range from 2.1061\u2005(18) to 2.1425\u2005(18)\u2005\u00c5. The Mo\u2014C and C\u2014N distances in the [Mo(CN)8] unit range from 2.154\u2005(2) to 2.174\u2005(2)\u2005\u00c5 and 1.149\u2005(3) to 1.156\u2005(3)\u2005\u00c5, respectively. The complex ions and water mol\u00adecules are linked by weak N\u2014H\u22efN/O and O\u2014H\u22efN/O hydrogen bonds into a three-demensional structure.In the title compound, [Ni(C DOI: 10.1107/S1600536809051964/pv2243Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dinuclear complex cation lies on a crystallographic inversion center, resulting in a planar Ir2N2 ring with an Ir\u2014N(py) bond length of 2.085\u2005(9)\u2005\u00c5 and bridging Ir\u2014N(NH) bonds of 2.110\u2005(9) and 2.113\u2005(9)\u2005\u00c5. The two (2-py)S units have mutually anti configurations with respect to the Ir2N2 ringIn the title dinuclear iridium(III) complex, [Ir DOI: 10.1107/S1600536809037167/zs2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pairs of N-bonded nicotinamide ligands and thio\u00adcyanate anions in the basal plane are in a trans configuration. In the crystal structure, the mol\u00adecules are connected into sheets by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(NCS) DOI: 10.1107/S1600536807068511/hb2684Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centre is also chelated by three deprotonated 1,3-diphenyl\u00adpropane-1,3-dione (dbm) ligands, forming enanti\u00adomerically pure [Tb(dbm)3 RRL]. The TbIII atom is located in a distorted square anti\u00adprism of eight coordinating atoms (six O and two N atoms).In the title compound, [Tb(C DOI: 10.1107/S1600536809019783/ng2576Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mean planes of two naphthyl systems of the ligand make a dihedral angle of 40.32\u2005(11)\u00b0.In the title complex, [Cu(C DOI: 10.1107/S1600536809030694/hy2212Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three-dimensional data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The dihedral angles between the central heterocylic system and the fluoro\u00adphenyl and phenyl rings are 20.21\u2005(3) and 5.43\u2005(1)\u00b0, respectively; the dihedral angle between the two benzene rings is 15.80\u2005(4)\u00b0.The crystal structure of the title compound, C DOI: 10.1107/S1600536808003917/bt2678Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The LaIII ions are bridged by \u03bc4-isophthalate ligands, forming two-dimensional layers. In the crystal structure, these layers are connected by inter\u00admolecular O\u2014H\u22efO hydrogen bonds into a three-dimensional network.In the title coordination polymer, [La DOI: 10.1107/S1600536809054543/lh2972Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two N atoms and two O atoms around the CuII atom are trans to each other, with an O\u2014Cu\u2014O bond angle of 177.00\u2005(9)\u00b0 and an N\u2014Cu\u2014N bond angle of 165.63\u2005(10)\u00b0. The average distances between the CuII atom and the coordinated O and N atoms are 1.905\u2005(2) and 1.995\u2005(2)\u00c5, respectively.In the title complex, [Cu(C DOI: 10.1107/S1600536810037888/rk2236Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two Co atoms in the asymmetric unit, each lying on an inversion centre and adopting a distorted octa\u00adhedral coordination. Classical and non-classical hydrogen bonds are responsible for formation of a three-dimensional polymeric network in the crystal.The title cobalt(II) complex, [CoCl DOI: 10.1107/S1600536809042263/dn2499Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808009707/at2559Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polymeric character of the structure is established by the formation of layers parallel to (100) via bridging pzdc ligands. O\u2014H\u22efO hydrogen bonding between water mol\u00adecules and uncoordinated carboxyl\u00adate O atoms leads to additional stabilization of the structure.In the title compound, {[Cu(C DOI: 10.1107/S1600536809051332/wm2283Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry about the Pd atom is distorted square-planar. The pyrazole rings are almost perpendicular, forming a dihedral angle of 86.6\u2005(6)\u00b0 to each other, to mitigate steric conflict between their methyl groups.The title compound, [PdCl(C al. 2006. Acta Cr DOI: 10.1107/S1600536810035427/su2207Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, adjacent ZnII atoms are linked by two H2nba ligands, forming one-dimensional ribbons along the c axis. These ribbons are further assembled into layers parallel to the bc plane via O\u2014H\u22efO hydrogen bonds.In the title coordination complex, [Zn(C DOI: 10.1107/S1600536809051836/ng2697Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two Ru\u2014Cl bonds and one Ru\u2013carbene bond complete the distorted octa\u00adhedron. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C6H2(CH3)3 arene group by a CH2 bridge. This leads to a system with very little apparent strain. A dichloro\u00admethane solvent mol\u00adecule completes the crystal structure. Further stabilization is accomplished via C\u2014H\u22efN and C\u2014H\u22efCl interactions.The title complex, [RuCl DOI: 10.1107/S160053680900350X/at2716Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The compound crystallizes with the Pd(II) atom on a twofold rotation axis. The palladium center has a slightly distorted square-planar environment, with the two P\u2014S chelating ligands adopting a cis configuration. The present structure is a pseudo-polymorph of [Pd(C18H14PS)2]\u00b7CH2Cl2.The title compound, [Pd(C DOI: 10.1107/S1600536808026718/bt2741Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal under investigation was ramecically twinned with an approximate twin domain ratio of 1:1. In the asymmetric unit, there are two types of Ni atoms. One of the NiO6 groups (2 symmetry) is coordinated to only one carboxyl\u00adate group and thus terminal, the other is bridging, forming the coordination polymer. The extended chains are connected by the organic BTC anions via \u03bc 2-linkages. O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the chains [centroid\u2013centroid distance 3.58\u2005(1)\u2005\u00c5] induce the complex to mimic a three-dimensional structure.The microwave solvothermal reaction of nickel nitrate with trimesic acid provided the title compound, [Ni DOI: 10.1107/S1600536809016729/zl2190Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure contains a two-dimensional metal\u2013organic framework based on CdII\u2013\u2013CdII zigzag chains joined together by bridging SO4 anions. The resulting layers are shifted with respect to each other and are stacked along the c axis. Their construction is supported by hydrogen bonds between water molecules and between water molecules and carboxylate or sulfate groups. Neighbouring layers are bridged by hydrogen bonds between the hydroxyl substituent and a sulfate anion. The sulfate anion and solvent water mol\u00adecule are located on twofold axes. The results demonstrate that care must be taken when preparing ethyl\u00adenediamine\u00adtetra\u00adacetic acid-type complexes by transmetallation, in order to avoid precipitation of metal complexes with the \u03b1-hydroxy\u00adacetate ligand.The title compound, {[Cd DOI: 10.1107/S1600536809017255/gk2209Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both dithio\u00adcarbamate and the N-heterocyclic ligands function in a chelating mode.In the title compound, [Eu(C DOI: 10.1107/S160053680904135X/xu2634Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the CoII ion sits on an inversion centre and is octa\u00adhedrally coordinated by two pyridine N atoms and four O atoms. A two-dimensional network parallel to (010) is formed via inter\u00admolecular O\u2014H\u22efO, O\u2014H\u22efN, N\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds.The structure of the title compound, [Co(C DOI: 10.1107/S1600536809049599/pk2211Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The other Cu atom is coordinated by an N,O,O\u2032-tridentate ligand and a pyridine mol\u00adecule in a distorted trans-CuN2O2 arrangement. In the crystal structure, a C\u2014H\u22ef\u03c0 inter\u00adaction occurs.The complete mol\u00adecule of the title complex, [Cu DOI: 10.1107/S1600536809009003/hb2917Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title centrosymmetric coordination polymer, {[Cu(C DOI: 10.1107/S1600536810014510/su2168Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pt\u2014P bond lengths of 2.2536\u2005(8) and 2.2513\u2005(8)\u2005\u00c5 and the Pt\u2014Cl bond lengths of 2.3750\u2005(8) and 2.3588\u2005(8)\u2005\u00c5 are normal. This crystal form is a polymorph of a structure reported previously .The title complex, [PtClasai 1976. Bull. C DOI: 10.1107/S1600536808000603/pv2062Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All the piperidinium cations adopt chair conformations. In the crystal structure, inter\u00admolecular N\u2014H\u22efO hydrogen bonds form chains along [001]. As well as half of a polyanion, the asymmetric unit contains one full and two half-occupancy nitrate ions and four full occupancy and one half-occupancy piperidinium cations; the half-occupancy piperidinium cation is disordered over two general sites with occupancies of 0.32 and 0.18, and is, in turn, disordered over an inversion center.The title compound, (C DOI: 10.1107/S1600536809026555/lh2828Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tellurium(II) atom shows a sligthly distorted square-planar TeI4 geometry and is coordinated to two bridging and two terminal iodine atoms. The planar [Te2I6]2\u2212 ions are isolated by the cations and no inter\u00admolecular tellurium\u2013halogen or halogen\u2013halogen inter\u00adactions are present.The structure of the title compound, (C DOI: 10.1107/S1600536808035927/hb2834Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The charge of the complex cation is balanced by a hydroxide anion and a nitrate anion. The cations and anions are connected by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, resulting in a three-dimensional supra\u00admolecular framework. There are two independent ion pairs with similar configurations in the unit cell. Both uncoordinated nitrate counter-anions are disordered.The Co ion in the title salt, [Co(NO DOI: 10.1107/S160053680903219X/ng2611Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the CuII atom has a distorted square-planar coordination environment. The dihedral angles between the benzene and pyridyl rings are 54.39\u2005(3) and 80.14\u2005(4)\u00b0, indicating that the pyridine ring has a considerably weaker steric hindrance. The packing of the mol\u00adecule is controlled by C\u2014H\u22ef\u03c0(Ph) inter\u00adactions and short O\u22efCl inter\u00adactions [3.196\u2005(4)\u2005\u00c5], linking the mol\u00adecules into a chain-like structure along the c axis.In the title complex, [Cu(C DOI: 10.1107/S1600536809029651/at2850Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A one-dimensional polymer was obtained via self-assembly. Each Cu ion is located in a distorted square-pyramidal coordination environment, with one Cu ion coordinated by two N and three O atoms, while the other links to two O and three N atoms. In the crystal, weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions connect the chains into a two-dimensional network.The title compound, {[Cu DOI: 10.1107/S1600536809012653/ez2166Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Neighboring CoII atoms are linked together by two Cl bridges, forming a dinuclear CoII complex with inversion symmetry. There are inter\u00admolecular O\u2014H\u22efCl hydrogen bonds and inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between adjacent bpy ligands [centroid\u2013centroid distance = 3.617\u2005(2)\u2005\u00c5] in the structure.The title complex, [Co DOI: 10.1107/S1600536809027846/at2843Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complexes are assembled into a three-dimensional network via C\u2014H\u22efO, C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 inter\u00adactions. The mean inter\u00adplanar distance between adjacent phenanthroline ligands is 3.399\u2005(2)\u2005\u00c5.In the crystal structure of the title compound, [Zn(C DOI: 10.1107/S1600536808006004/is2271Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The selenadiazole plane is canted at 73.13\u2005(17)\u00b0 to the square plane defined by the penta\u00adnedionate O atoms. The F atoms of one of the hp ligands are disordered over two sets of sites in a 0.66\u2005(3):0.34\u2005(3) ratio. There are no significant inter\u00admolecular inter\u00adactions in the crystal.In the title compound, [Cu(C DOI: 10.1107/S1600536810001297/hb5239Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Sn atoms in the two independent mol\u00adecules adopt distorted trans-C3SnO2 trigonal\u2013bipyramidal geometries. The repeat distance of the polymeric chain is b/2.The 4-nitro\u00adcinnamate anion in the title compound, [Sn(C DOI: 10.1107/S1600536808032236/tk2314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex contains both Ir\u2014O and Ir\u2014C bonds and was isolated from a reaction mixture of IrCl3(H2O)x, pentane-2,5-dione and NaHCO3. O\u2014H\u22efO hydrogen bonding between the water molecules and the carbonyl O atoms of adjacent molecules leads to a layered motif extending parallel to (010).In the crystal structure of the title compound, [Ir(C DOI: 10.1107/S160053680903760X/er2069Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Yb atom is coordinated in a three-legged piano-stool geometry by a cyclo\u00adpenta\u00addienyl ring, two I anions and the O atom of a diethyl ether mol\u00adecule. The central Yb2I2 core is an approximate square.The half-sandwich title compound, [Yb DOI: 10.1107/S1600536807066871/tk2232Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both the cationic and anionic portions of the starting proton-transfer compound are involved in the complexation. The NiII atom has a distorted octa\u00adhedral geometry and is hexa\u00adcoordinated by three O atoms and three N atoms from one phen fragment (as a bidentate ligand), one (pydc)2\u2212 unit (as a tridentate ligand) and one water mol\u00adecule. In the crystal structure, extensive O\u2014H\u22efO, O\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds with D\u22efA distances ranging from 2.573\u2005(2) to 3.385\u2005(2)\u2005\u00c5, \u03c0\u2013\u03c0 inter\u00adactions between the phen ring systems and inter\u00admolecular C\u2014O\u22ef\u03c0 inter\u00adactions connect the various components together.The title compound, [Ni(C DOI: 10.1107/S1600536808039378/om2263Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other NiII ion is also six-coordinated, by four other pyridine N atoms from four other amino\u00adpyridine ligands and two carbonate O atoms to complete a distorted octa\u00adhedral geometry. In the crystal structure, mol\u00adecules are linked into an infinite three-dimensional network by O\u2014H\u22efO, N\u2014H\u22efCl, N\u2014H\u22efO, O\u2014H\u22efN, C\u2014H\u22efO, C\u2014H\u22efN and C/N\u2014H\u22ef\u03c0 inter\u00adactions involving the pyridine rings.In the title compound, [Ni DOI: 10.1107/S1600536808033321/at2653Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeIII ion is coordinated by two O atoms from a chelating oxalate ligand, two water mol\u00adecules and two chloride anions in a distorted octa\u00adhedral geometry. Inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds form an extensive three-dimensional network which consolidates the crystal packing.In the title compound, (C DOI: 10.1107/S1600536809025628/cv2580Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title Schiff base complex, [Cu(C15H11N3O5)(C5H5N)], is O,N,O\u2032-chelated by the doubly deprotonated Schiff base ligand. The metal centre is in a square-planar coordination geometry.The pyridine-coordinated Cu DOI: 10.1107/S1600536808042803/bt2838Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The apical Cu\u2014O bond [2.3520\u2005(16)\u2005\u00c5] is much longer than the basal Cu\u2014O and Cu\u2014N bonds [1.9139\u2005(14)\u20132.0136\u2005(17)\u2005\u00c5]. The carboxyl\u00adate group bridges CuII atoms, forming a zigzag chain along the a axis.In the title compound, [Cu(C DOI: 10.1107/S1600536809037520/is2450Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MoVI atom shows a distorted octa\u00adhedral environment, with the phenanthroline N atoms and the two oxide groups forming the equatorial plane and the F atoms occupying the apical positions. Weak C\u2014H\u22efO and C\u2014H\u22efF hydrogen-bonding contacts and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.662\u2005(1)\u2005\u00c5] connect the complex mol\u00adecules into a three-dimensional supra\u00admolecular framework.The title compound, [MoF DOI: 10.1107/S1600536809031626/si2192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This bonding pattern leads to one-dimensional anti\u00adtactical polymeric chains along [010]. One of the exocyclic O atoms of the anhydro\u00aderythritolate group is an acceptor in four hydrogen bonds, giving further evidence that it is deprotonated.In the title compound, {[Na(C DOI: 10.1107/S1600536808039640/fi2067Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each PbII unit is six-coordinated by a bidentate 1,10-phenanthroline (phen) ligand, a monodentate acetate anion and a bidentate benzoate anion, which also acts as a bridge linking the two PbII atoms. The crystal packing is stabilized by O\u2014H\u22efO hydrogen bonds and by \u03c0\u2013\u03c0 inter\u00adactions between the phen rings of neighboring mol\u00adecules, with a centroid\u2013centroid distance of 3.577\u2005(3)\u2005\u00c5.The title compound, [Pb DOI: 10.1107/S1600536809025896/sj2634Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two 3-(1H-pyrazol-1-yl)benzonitrile ligands each bridge two AgI ions to form a dinuclear complex. In the crystal structure, there are weak Ag\u22efO inter\u00adactions within the range 2.70\u20133.01\u2005\u00c5 linking dimeric units into layers approximately parallel to (100). The O atoms of the perchlorate ligand are disordered over two sites with occupancies of 0.570\u2005(11) and 0.430\u2005(11), respectively.In the title centrosymmetric complex, [Ag DOI: 10.1107/S1600536808030602/lh2676Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PtIV atom is six-coordinated in an octa\u00adhedral configuration by two N atoms of the 4,4\u2032-dimethyl-2,2\u2032-bipyridine ligand and four terminal Cl atoms. In the crystal structure, there are weak \u03c0\u2013\u03c0 inter\u00adactions between pyridine rings, with a centroid\u2013centroid distance of 4.365\u2005(3)\u2005\u00c5.The asymmetric unit of the title compound, [PtCl DOI: 10.1107/S1600536808016796/hk2470Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808008957/bt2692Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Nd\u22efNd separation is 4.5012\u2005(12)\u2005\u00c5.In the title centrosymmetric dinuclear complex, [Nd DOI: 10.1107/S1600536809047564/hy2250Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atom lies on an inversion center and is four-coordinated in a slightly distorted square-planar geometry by four N atoms of the ligands obtained from the formation of a bond between the amine N atom of the oxadiazole mol\u00adecule and the nitrile C atom of the solvent. In the crystal structure an inter\u00admolecular N\u2014H\u22efN hydrogen bond links inversion-related mol\u00adecules.The title compound, [Cu(C DOI: 10.1107/S1600536810009050/pk2228Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuI ion has a distorted trigonal-planar geometry and is coordinated by two N atoms from the Me2BIM ligand and another N atom from the Me2BIM that acts as a bridging ligand, another N atom of the bridging Me2BIM being linked to the second CuI ion. The imidazole rings of Me2BIM form intra\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.445\u2005(2) and 3.547\u2005(2)\u2005\u00c5].The title compound, [Cu DOI: 10.1107/S1600536809039622/bv2129Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII ion is also four-coordinated by the two phenolate O atoms of the Schiff base ligand and by two cis-coordinated chloride anions.In the title compound, [CuZnCl DOI: 10.1107/S1600536809006928/hg2482Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the component units into a three-dimensional network. Two short C\u2014H\u22efO contacts are also seen.In the title binuclear compound, [Zn DOI: 10.1107/S1600536809020716/hb2964Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The AgI ion is coordinated in an almost linear fashion by two pyridyl N atoms from one pydc and one Hpydc ligand and has weak inter\u00adactions with two carboxyl\u00adate O atoms. The carboxyl\u00adate groups of pydc and Hpydc ligands link Tb centers, forming a one-dimensional chain. The oxalate adopts a tetra\u00addentate bis-chelating coordination mode, connecting the chains into a two-dimensional layer. These layers are further assembled via [Ag(pydc)(Hpydc)] pillars and O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds into a three-dimensional coordination framework.In the title coordination polymer, [AgTb(C DOI: 10.1107/S1600536809036393/hy2227Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial plane is formed by two O atoms from two symmetry-related 2-benzoyl\u00adbenzoate ligands and two N atoms from two symmetry-related imidazole ligands, whereas the axial positions are occupied by two O atoms from two ethanol ligands. Intramolecular O---H...O hydrogen bonds stabilize this arrangement. The mol\u00adecules are linked into chains running along the b axis by N\u2014H\u22efO hydrogen bonds.In the title centrosymmetric mononuclear nickel(II) complex, [Ni(C DOI: 10.1107/S160053680902621X/ci2845Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The imidazole ring system forms a dihedral angle of 24.9\u2005(2)\u00b0 with the 4-fluoro\u00adphenyl ring. The pyridine ring is oriented approximately perpendicular [72.24\u2005(8)\u00b0] to the imidazole ring system.In the crystal structure of the title compound, C DOI: 10.1107/S1600536809051873/nc2170Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule lies across a twofold rotation axis, around which two 1,10-phenanthroline ligands are arranged. There are short contacts between the 1,10-phenanthroline groups and the O atoms of the croconate ligand, which probably stabilize the crystal structure via weak C\u2014H\u22efO interactions.In the title compound, [Zn(C DOI: 10.1107/S1600536808033709/sg2254Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Eu atom adopts a distorted dodeca\u00adhedral coordination arising from one O-bonded 2,2\u2032-azinodibenzene\u00adsulfonate ligand and seven water mol\u00adecules. In the crystal structure, the components are linked by multiple O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds.In the title compound, [Eu DOI: 10.1107/S1600536809006485/hb2895Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two independent mol\u00adecules comprise the asymmetric unit, each of which lies on a mirror plane that passes through the C2Sn unit.In the title compound, [Sn(CH DOI: 10.1107/S1600536809030062/tk2508Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mn\u22efMn separation is 3.6563\u2005(9)\u2005\u00c5. In the crystal structure, O\u2014H\u22efN and O\u2014H\u22efCl hydrogen bonds help to establish the packing.In the centrosymmetric dinuclear title compound, [Mn DOI: 10.1107/S1600536808044103/hb2883Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1,4-bix mol\u00adecules act as bridging ligands that bind two CdII atoms, thus forming an infinite chain propagating in [100], which is decorated by the Hchdc anions. The structure is completed by O\u2014H\u22efO hydrogen bonds, which link the chains together.In the title coordination polymer, [Cd(C DOI: 10.1107/S1600536809021618/hb2986Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each 1,1\u2032-diimidazole ligand coordinates to two MnII atoms located in adjacent layers via Mn\u2014N coordination bonds, giving a three-dimensional network. As the methyl\u00adene groups can bend freely relative to each other due to the C atoms connected via single bonds, the 1,1\u2032-diimidazole ligand forms an S-shaped conformation, which makes the void in the three-dimensional network distorted.In the title coordination compound, [Mn DOI: 10.1107/S1600536810035269/hg2706Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra- and inter\u00admolecular N\u2014H\u22efCl hydrogen bonding stabilizes the crystal structure. A weak S\u22efCl inter\u00adaction [3.533\u2005(2)\u2005\u00c5] is observed between neighboring mol\u00adecules.In the title compound, [CdCl DOI: 10.1107/S1600536808027864/xu2449Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, inter\u00admolecular N\u2014H\u22efCl hydrogen bonds link the organic cations and the uncoordinated chloride ion.In the title compound, (C DOI: 10.1107/S1600536810002886/hb5291Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each pair of adjacent MnII atoms is bridged by a CH3O-ip ligand, forming a helical chain running along a crystallographic 21 axis in the c-axis direction. These chains are decorated with 2,2\u2032-bipy ligands on alternating sides. O\u2014H\u22efO hydrogen bonding involving the water molecules stabilizes the crystal structure.In the title compound, {[Mn(C DOI: 10.1107/S1600536809035466/bg2299Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water solvent mol\u00adecule is disordered over two positions in a 1:1 ratio.In the crystal structure of the title compound, [Ni(N DOI: 10.1107/S1600536809029407/rn2055Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is situated on a crystallographic center of inversion and shows a distorted octa\u00adhedral coordination geometry. A three-dimensional network structure is assembled by inter- and intra\u00admolecular N\u2014H\u22efO=C inter\u00adactions.The asymmetric unit of the title complex, [Ni(pht) DOI: 10.1107/S1600536808038749/im2088Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure exhibits inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions.In the binuclear centrosymmetric title compound, [Ag DOI: 10.1107/S1600536810010032/hg2658Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is a mean deviation of 0.016\u2005(4)\u2005\u00c5 from the least-squares plane defined by the nine constituent benzofuran atoms. The crystal structure is stabilized by aromatic \u03c0\u2013\u03c0 inter\u00adactions between the benzene rings of neighbouring mol\u00adecules [centroid\u2013centroid distance = 3.689\u2005(7)\u2005\u00c5]and by a weak C\u2014H\u22ef\u03c0 interaction between an H atom of the methylene group bonded to the carboxylate O atom and the benzene ring of an adjacent molecule. In addition, the crystal structure exhibits weak non-classical inter\u00admolecular C\u2014H\u22efO hydrogen bonds. The chloro\u00adethyl group is disordered over two positions, with refined site-occupancy factors of 0.767\u2005(6) and 0.233\u2005(6).In the title compound, C DOI: 10.1107/S1600536809012847/sj2602Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings [centroid\u2013centroid distances = 3.788\u2005(1) and 3.957\u2005(1)\u2005\u00c5] are present in the crystal structure.In the title compound, [CoCl DOI: 10.1107/S1600536810036846/hy2353Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the carboxyl groups are involved in inter\u00admolecular O\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by aromatic \u03c0\u2013\u03c0 inter\u00adactions between the furan ring and the benzene ring of neighbouring benzofuran ring systems [centroid\u2013centroid distance = 3.684\u2005(5)\u2005\u00c5].The title compound, C DOI: 10.1107/S160053680903671X/zq2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808033102/at2636Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII ions assume an octa\u00adhedral CoO6 coordination geometry. In the crystal, a three-dimensional network is formed through O\u2014H\u22efO hydrogen-bond inter\u00adactions as well as inter\u00admolecular inter\u00adactions between the K+ cations and neighbouring O atoms.In the title complex, K DOI: 10.1107/S160053680905106X/ds2013Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hy\u00addroxy unit of the cation is a hydrogen-bond donor to the alkoxide O atom of the tetra\u00adhedrally coordinated anion, whereas the ammonium cation acts as a hydrogen-bond donor to the methano\u00adlic O atom. In the crystal, adjacent ion pairs and solvent mol\u00adecules are linked by a methanol\u2013halogen O\u2014H\u22efI hydrogen bond, generating a chain running along the a axis.The anion of the title salt, (C DOI: 10.1107/S1600536810036718/bt5355Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two diisobutyl\u00adphophine units are trans to each other with respect to the CoIII metal center. The PF6 \u2212 anion links the cobaltocenium cations via weak C\u2014H\u22efF hydrogen bonds into a chain running along the b axis. The chains are further linked by C\u2014H\u22efF hydrogen bonds, forming a layer extending parallel to the (10In the title compound, [Co(C DOI: 10.1107/S1600536808017194/is2295Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One 2-dph ligand functions in a bridging mode and connects Pb ions into a linear chain. The crystal packing is governed by intra- and inter\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title complex, {[Pb(C DOI: 10.1107/S1600536810004162/hy2276Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The RuII atom adopts a slightly distorted octa\u00adhedral RuN6 coordinaton formed by four N atoms of two bipyridine ligands and by two N atoms of the 1,10-phenantroline ligand. The isothio\u00adcyanate group is almost linear, with an N\u2014C\u2014S angle of 174.4\u2005(6)\u00b0. Two of the three hexa\u00adfluoridophosphate counter-anions are located on inversion centres.The title compound, [Ru(C DOI: 10.1107/S1600536809035302/wm2252Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A network of N\u2014H\u22efO, N\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds helps to consolidate the crystal structure.In the title compound, [Cd(NO DOI: 10.1107/S1600536808006521/hb2693Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central CdII ion is in a slightly disorted octa\u00adhedral environment, coordinated by two aqua ligands, two (4-tolyl\u00adsulfan\u00adyl)acetate ligands and two bridging 4,4\u2032-bipyridine ligands. The CdII ion lies on a twofold rotation axis. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds connect adjacent chains, forming a layer structure. An intramolecular O\u2014H\u22efO hydrogen bond is also present.The title complex, [Cd(C DOI: 10.1107/S1600536808024720/at2595Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted octa\u00adhedral coordination geometry of the Cd atom has two N and two O atoms in the equatorial plane, and two O atoms in axial positions. The complex is stabilized by intra\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds. In the crystal structure the complexes are linked into chains via inter\u00admolecular C\u2014H\u22ef\u03c0 stacking inter\u00adactions. One of the methanol C atoms is disordered with ouccupancies of 0.7:0.3.In the title compound, [Cd(C DOI: 10.1107/S160053680900676X/su2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyrrolidine ring is almost perpendicular to the indolinone ring [dihedral angle = 87.52\u2005(7)\u00b0]. The structure is stabilized by an intra\u00admolecular O\u2014H\u22efN hydrogen bond and by inter\u00admolecular C\u2014H\u22efO and N\u2014H\u22efO inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S1600536809012756/bt2914Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complexes, each PtIV ion is six-coordinated in a distorted octa\u00adhedral environment by two N atoms of the 1,10-phenanthroline ligand and four Cl atoms. Because of the different trans effects of the N and Cl atoms, the Pt\u2014Cl bonds trans to the N atom are slightly shorter than those trans to the Cl atom. The compound displays numerous inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions between six-membered rings, with a shortest centroid-to-centroid distance of 3.654\u2005\u00c5. There are also weak intra- and inter\u00admolecular C\u2014H\u22efCl hydrogen bonds.The asymmetric unit of the title compound, [PtCl DOI: 10.1107/S1600536809002359/im2096Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The terpyridyl motif in each fctpy ligand is coplanar, but the cyclo\u00adpenta\u00addienyl ring is twisted by 9.5\u2005(2)\u00b0 out of coplanarity with each central pyridine. The two cyclo\u00adpenta\u00addienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.5\u2005(1)\u00b0. In addition, inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance 3.753\u2005(2)\u2005\u00c5] are present between the cyclo\u00adpenta\u00addienyl and outer pyridyl rings of the fctpy ligands. One of the perchlorate anions is equally disordered over two positions.In the title complex, [FeZn(C DOI: 10.1107/S1600536809023939/jh2081Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atoms of the title complex, [MnNi2(C11H8N3O6)2(H2O)4]\u00b74H2O, have a slightly distorted square-planar coordination environment with a tetra\u00addentate N-(5-nitro-2-oxidobenzyl\u00adidene)glycylglycinate Schiff base trianion. The NiII atoms are coordinated by one phenolate O atom, one imine N atom, one amido N atom and one carboxyl\u00adate O atom. The MnII atom is connected via the carboxyl\u00adate groups, forming a hetero-trinuclear NiII\u2013MnII\u2013NiII system. The MnII atom is six-coordinated in an octa\u00adhedral geometry by four O atoms from two carboxyl\u00adate groups and four water mol\u00adecules. The NiII\u2013MnII\u2013NiII hetero-trinuclear mol\u00adecules are stacked in the crystal and cross-linked through O\u2014H\u22efO hydrogen bonds.The two unique Ni DOI: 10.1107/S1600536810011293/jh2139Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HgII atom has a distorted tetra\u00adhedral geometry and is coordinated by one S atom and three Cl atoms. Two of the Cl atoms act as bridging ligands between the Hg atoms, forming a two-dimensional polymeric structure.The title compound, [HgCl DOI: 10.1107/S1600536808013718/sg2244Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two disordered dichloro\u00admethane solvent mol\u00adecules are each 0.25-occupied on a twofold rotation axis.In the title compound, [FePt(C DOI: 10.1107/S1600536808043493/hy2171Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It differs from the first ortho\u00adrhom\u00adbic polymorph [Pan, Lin & Zheng ligand. In the present structure, the Cu atom is shifted from the mean plane of the dmp ligand by only 0.005\u2005(1)\u2005\u00c5, compared with 0.318\u2005(6)\u2005\u00c5 in the ortho\u00adrhom\u00adbic form. Hydrogen-bonding and \u03c0\u2013\u03c0 stacking inter\u00adactions (mean inter\u00adplanar distance of 3.59\u2005\u00c5 in the title compound) in the two different polymorphs are both essential to the supra\u00admolecular assembly.A new monoclinic polymorphic form of the title compound, [Cu(HCOheng 2005. Z. Kris DOI: 10.1107/S1600536808022812/fj2128Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each FeIII center in the complex has a six-coordinated distorted cis-FeN2O4 octa\u00adhedral geometry.The structure of the title compound, [Fe DOI: 10.1107/S1600536809005091/hg2478Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nickel(II) center is coordinated by two P atoms of the chelating PNP ligand, Ph2PN(iPr)PPh2, and two bromide ions in a distorted square-planar geometry.The title compound, [NiBr DOI: 10.1107/S1600536809003936/ci2764Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The topology of the polymer is a one-dimensional chain mediated by bridging pyridine-3-sulfonate anions. These are connected into a three-dimensional architecture via hydrogen bonds.In the title polymeric complex, [Cd(C DOI: 10.1107/S1600536808007770/tk2252Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The unit cell contains a half equivalent of an acetonitrile solvent mol\u00adecule per tetra\u00adpyrazine\u00adplatinum(II) ion. The coordination geometry of the PtII ion is almost square-planar, with the Pt atom residing on an inversion center. The BF4 \u2212 counter-anion, located at a general position, has an idealized tetra\u00adhedral geometry and an acetonitrile solvent mol\u00adecule, the methyl group of which is disordered over two equal positions, sits on a twofold rotation axis.The improved synthesis and characterization of tetra\u00adpyrazine\u00adplatinum(II) bis\u00ad(tetra\u00adfluoro\u00adborate) acetonitrile hemisolvate, [Pt(C DOI: 10.1107/S1600536808033679/pk2119Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809038045/hb5109Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonding, as well as \u03c0\u2013\u03c0 stacking between parallel thia\u00adzole rings [centroid\u2013centroid distance 3.531\u2005(8)\u2005\u00c5], helps to stabilize the crystal structure.In the crystal structure of the title compound, [Ni(C DOI: 10.1107/S1600536809017978/xu2518Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title structure belongs to the \u03b2-K2SO4 family and all the ions are located on crystallographic mirror planes. The ions are held together by N\u2014H\u22efS hydrogen bonds (some of which are bifurcated), forming a three-dimensional network. One of the N atoms has nine contacts to the S atoms shorter than 4\u2005\u00c5, and the other has ten.In contrast to the previous structure determinations of the title structure, (NH DOI: 10.1107/S1600536810003016/fb2179Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Together the ligands create a slightly distorted square-planar cordination environment for the Rh(I) atom. There are three mol\u00adecules in the asymmetric unit and intra\u00admolecular P\u2014Rh\u2014P bite angles of 82.78\u2005(5), 82.97\u2005(6) and 83.09\u2005(5)\u00b0 are observed. The dihedral angles between the P\u2014Rh\u2014P and the X\u2014Rh\u2014X planes (X is the centroid of a double bond) are 14.7\u2005(1), 14.8\u2005(1) and 15.3\u2005(1)\u00b0. The structure exhibits disorder of one cyclo\u00adocta\u00addiene ligand as well as one BF4 anion.The title compound, [Rh(C DOI: 10.1107/S1600536810019859/im2198Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other two imino N atoms act as hydrogen-bond acceptors from phenolate OH groups. The toluene solvent mol\u00adecule is disordered about a centre of inversion.In the toluene hemisolvated tripodal tris\u00ad(2-amino\u00adethyl)amine Schiff base, C DOI: 10.1107/S1600536809002906/bt2855Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two Cl atoms lying above and below the plane formed by these four N atoms inter\u00adact weakly with the Cu atom [Cu\u2014Cl = 2.7870\u2005(7)\u2005\u00c5]. The trans 2,5-bis\u00ad(4-pyrid\u00adyl)-1,3,4-oxadiazole ligands act as bridging ligands, linking adjacent Cu atoms and forming a one-dimensional coordination polymer. Two anilines coordinate with each Cu atom as terminal groups. The structure contains two classical N\u2014H\u22efCl and two non-classical C\u2014H\u22efCl hydrogen bonds.In the title compound, [CuCl DOI: 10.1107/S1600536809054191/pv2245Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Fe atom is six-coordinated by three phenolic O and three imine N atoms from three Schiff base ligands in an octa\u00adhedral geometry.The title complex, [Fe(C DOI: 10.1107/S1600536808014165/sj2500Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuII atom is bound to two N atoms and one O atom of the pyridine\u00addicarboxyl\u00adate (PDA) ligand in a tridentate manner, one N atom of the pyridine mol\u00adecule and two bridging carboxyl\u00adate O atoms of adjacent PDA ligands, leading to a linear one-dimensional chain running along the c axis. These chains are further assembled via weak C\u2014H\u22efO and \u03c0\u2013\u03c0 inter\u00adactions into a three-dimensional supra\u00admolecular network structure. The centroid\u2013centroid distance between the \u03c0\u2013\u03c0 inter\u00adacting pyridine rings is 3.9104\u2005(13)\u2005\u00c5. The two N atoms are trans to each other with respect to Cu.In the title compound, [Cu(C DOI: 10.1107/S1600536809005212/is2384Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex monoclinic structure of the first arsenide to form with this type features chains made of corner-sharing ZnAs4 tetra\u00adhedra, separated by Eu atoms. There are a total of 15 unique positions in the asymmetric unit. Except for one Eu atom with site symmetry 2/m, all atoms are located on mirror planes. An usual aspect of the structure are some Zn\u2014As distances, which are much longer than the sum of the covalent radii, indicating weaker inter\u00adactions.The title compound, Eu DOI: 10.1107/S1600536810006938/wm2307Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The compound adopts a linear chain structure.In the title compound, [CoCl DOI: 10.1107/S1600536808006685/ng2432Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The sbc ligand acts as a \u03bc3-bridging ligand by one O atom of the sulfonate group and the two O atoms of the carboxyl\u00adate. Of these two last O atoms, one builds up a dinuclear framework arranged around an inversion center whereas the second one links each dinuclear unit, forming a chain extending along the b axis. These polymeric chains are linked through O\u2014H\u22efO hydrogen bonds involving the water mol\u00adecules, forming a layer parallel to (bpy)]\u00b72H DOI: 10.1107/S1600536810005763/dn2537Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central Cd atom is chelated by the 4\u2032-p-tolyl-2,2\u2032:6\u2032,2\u2032\u2032-terpyridine ligand and is coordinated by the N atoms of three thio\u00adcyanate ions in an octa\u00adhedral geometry whereas the Ag atom is coordinated by the four S atoms of four thio\u00adcyanate ions in a distorted tetra\u00adhedral geometry. Of the three thio\u00adcyanate ions, one functions in a \u03bc 2-bridging mode and two in a \u03bc 3-bridging mode. The ribbon coordination polymer propagates along the a-axis.The title compound, [AgCd(NCS) DOI: 10.1107/S160053681003744X/nk2062Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The acyl\u00adhydrazone groups are not involved into the coordination of the metal ion. In the crystal packing an extended three-dimensional network formed by N\u2014H\u22efCl, N\u2014H\u22efO, O\u2014H\u22efN, O\u2014H\u22efN and O\u2014H\u22efCl hydrogen bonds is observed.In the title compound, [CoCl DOI: 10.1107/S1600536809047680/vm2009Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Mol\u00adecules form a two-dimensional layered structure via O\u2014H\u22efO and O\u2014H\u22efN inter\u00adactions. The Pb atom adopts distorted cubo-octahedral coordination.In the structure of the title compound, [Pb(C DOI: 10.1107/S1600536809004541/at2722Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It was synthesized from 2,4,6,8-tetra\u00adphenyl-3,7-diaza\u00adbicyclo\u00ad[3.3.1]nonan-9-one and was crystallized from a methanol\u2013ethanol solution over two years as a racemate. The C=N double bond [1.2868\u2005(15)\u2005\u00c5] is bent significantly out of the plane of the aromatic bicyclic ring system [N\u2014C\u2014C\u2014C = \u2212157.63\u2005(12)\u00b0] and out of the plane of the phenyl ring bonded at the 1-position [N\u2014C\u2014C\u2014C = 41.15\u2005(16)\u00b0].The title compound, C DOI: 10.1107/S1600536810013619/bt5246Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One O atom of the 18-crown-6-ether is disordered over two positions with occupancies of 0.70\u2005(2) and 0.30\u2005(2).In the cation of the title compound, [Mn(C DOI: 10.1107/S1600536808044176/hg2451Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Pd(C2F3O2)(C24H43P2)], adopts a distorted square-planar geometry with the P atoms in a trans arrangement, forming two five-membered chelate rings. Four intra\u00admolecular C\u2014H\u22efO hydrogen bonds occur. The crystal packing reveals one weak inter\u00admolecular C\u2014H\u22efO hydrogen bond, which self-assembles the mol\u00adecules into infinite chains parallel to the b axis.The Pd DOI: 10.1107/S1600536810017861/cv2705Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its non-centrosymmetric polymorph structure, (II), was known previously and has been redetermined at 193\u2005(2)\u2005K -\u03bcassa 2002. Acta Cr DOI: 10.1107/S1600536809009088/si2150Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic rings in the 4-iodo-N-(pyridin-2-yl\u00admethyl\u00adidene)aniline ligand is 46.2\u2005(3)\u00b0. The bromide ion and its corresponding trans CO mol\u00adecule are disordered over two sets of sites in a 0.966\u2005(3):0.034\u2005(3) ratio.In the title compound, [ReBr(C DOI: 10.1107/S1600536810037104/hb5621Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The configuration of the two ferrocence nuclei may be due to intra\u00admolecular N\u2014H\u22efN hydrogen bonding involving the two NH groups.In the structure of the title compound, [Fe DOI: 10.1107/S1600536809025057/su2124Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are four SnIV centres which can be divided into two sorts, viz. two endocyclic and two exocyclic. The endo- and exocyclic SnIV centres are linked by bidentate deprotonated methanol and \u03bc3-O atoms. Each exocyclic SnIV centre is also coordinated by a monodentate 2-[4-(2-hydroxy\u00adbenzyl\u00adidene\u00adamino)phen\u00adyl]acetate ligand. Parts of the butyl groups were found to be disordered over two sets of sites.The title compound, [Sn DOI: 10.1107/S1600536809038938/hg2567Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Hydrogen bonds exist between the OH group of the pyridine-4-carbaldehyde oxime ligand and the two O atoms of the acetyl\u00adacetonate ions.The title compound, [U(C DOI: 10.1107/S1600536808012889/im2063Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, each Fe3+ ion is coordinated by four carboxyl\u00adate O atoms, one central bridged O atom and one water mol\u00adecule, resulting in distorted FeO6 octa\u00adhedra. A network of O\u2014H\u22efO hydrogen bonds helps to establish the packing.The asymmetric unit of the title compound, [Fe DOI: 10.1107/S1600536808019806/hb2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI atom displays a trigonal coordination geometry, being surrounded by one C atom from one cyanide anion and two N atoms from one cyanide and one bppe ligand. In the complex, each cyanide anion links two CuI atoms in a bis-monodentate mode into a zigzag [\u2013Cu\u2014CN\u2013]n chain. Two parallel chains are linked by bppe ligands into a ladder chain.The asymmetric unit of the title complex, [Cu DOI: 10.1107/S1600536808013172/hg2393Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation is bowed due to crystal packing effects, and the dihedral angle between the xylyl rings is 52.3\u2005(7)\u00b0. In the title compound, [Au(C DOI: 10.1107/S1600536808027116/hb2785Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular C\u2014H\u22efO hydrogen bonding and inter\u00admolecular \u03c0\u2013\u03c0 stacking between parallel pyridine rings [centroid\u2013centroid distance = 3.658\u2005(3)\u2005\u00c5] are present in the crystal structure.In the title compound, [CdI DOI: 10.1107/S1600536810012572/xu2734Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging ligand results in an infinite chain. A network of O\u2014H\u22efO hydrogen bonds helps to establish the crystal structure.In the title compound, {[Cu(C DOI: 10.1107/S1600536808025439/hb2747Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centre is also coordinated by two dimethyl sulfoxide (DMSO) ligands through the O atom, leading to an overall distorted octahedral coordination environment for the SnIV atom. The mol\u00adecular adduct lies on a twofold rotation axis.In the title compound, [Sn(C DOI: 10.1107/S160053680904361X/ng2673Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two O atoms are cis, as are the two S atoms.In the title compound, [Ni(C DOI: 10.1107/S1600536808017145/hy2137Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand environment surrounding CoIII is formed by two N,N-chelating pyrazole-containing ligands and two pyridine mol\u00adecules in axial positions. The high-spin CoII ions, situated at crystallographic centres of inversion, exhibit a distorted octa\u00adhedral coordination mode. The ClO4 \u2212 anion is linked to the polymer chain via hydrogen bonds. The chains are connected by hydrogen bonds to produce a three-dimensional structure.The title compound, {[Co DOI: 10.1107/S1600536808002675/im2050Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atoms in the title compound, [Pb2(C10H8NO)2(C2H3O2)2], are chelated by acetate and substituted quinolin-8-olate anions; the O atoms of the quinolin-8-olates also bridge to confer a five-coordinate status to each metal center. The geometry approximates a distorted \u03a8-fac octa\u00adhedron in which one of the sites is occupied by a stereochemically active lone pair. Both independent Pb DOI: 10.1107/S1600536809003560/tk2364Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each [FeF6]3\u2212 anion is surrounded by four separate hydrogen-bonded water mol\u00adecules in the equatorial sites and by five separate aminium cation donor groups. The axial F atoms are only involved in N\u2014H\u22efF hydrogen bonds, resulting in a three-dimensional structure.The asymmetric unit of the title iron hybrid fluoride, (C DOI: 10.1107/S1600536810018039/zs2036Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol\u00adecules are linked via inter\u00admolecular N\u2014H\u22efN hydrogen bonding. In the crystal structure of the title compound, C DOI: 10.1107/S1600536808011562/nc2101Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808005382/dn2320Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the Co2+ centre is coordinated by four O atoms from two bidentate carboxyl\u00adate groups of two anions and two N atoms of two 4,4\u2032-bipy mol\u00adecules, resulting in infinite chains propagating in [010]. The cobalt coordination is distorted trans-CoO4N2 octa\u00adhedral and inter\u00adchain O\u2014H\u22efO hydrogen bonds complete the structure.In the title compound, [Co(C DOI: 10.1107/S1600536808032558/hb2815Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Methanol\u2013acetate O\u2014H\u22efO hydrogen bonds link the dinculear units into a linear supra\u00admolecular chain extending parallel to [100].The reaction of zinc acetate and 2-methyl-8-hydroxy\u00adquinoline in methanol yielded the centrosymmetric dinuclear title compound, [Zn DOI: 10.1107/S1600536809014214/tk2424Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is a six-coordinated complex with a distorted octa\u00adhedral geometry around the FeIII atom. Extensive inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds, involving the complex anion, (pydaH)+ counter-ion and two uncoordinated water mol\u00adecules, and \u03c0\u2013\u03c0 [centroid-to-centroid distance 3.323\u2005(11)\u2005\u00c5] and C\u2014O\u22ef\u03c0 [O\u2013centroid distance 3.150\u2005(15)\u2005\u00c5] inter\u00adactions connect the various components into a supra\u00admolecular structure.The reaction of iron(II) sulfate hepta\u00adhydrate with the proton-transfer compound (pydaH)(hypydcH) (pyda = pyridine-2,6-diamine; hypydcH DOI: 10.1107/S1600536808029280/hy2152Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The linear butadiyne substituent has alternating C\u2014C triple and single bonds, while the unsubstituted cyclo\u00adpenta\u00addiene ring is slightly positionally disordered and retains a close to eclipsed conformation.The title compound, [Fe(C DOI: 10.1107/S1600536809005522/hg2474Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyrrolidine ring is almost perpendicular to the cyclo\u00adpenta\u00adnone ring, making a dihedral angle of 81.91\u2005(6)\u00b0. The mol\u00adecular conformation is stabilized by an intra\u00admolecular O\u2014H\u22efN hydrogen bond and C\u2014H\u22efO inter\u00adactions. The crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efO inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S1600536809018583/bt2949Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordinated Schiff base uses its indole NH donor site to form a hydrogen bond to the negatively charged phenolate O atom of the uncoordinated zwitterionic Schiff base. There is an intra\u00admolecular N\u2014H\u22efO hydrogen bond in the coordinated and uncoordinated Schiff bases. The indole NH site of the uncoordinated Schiff base does not engage in a hydrogen-bond inter\u00adaction. The CH2\u2014CH2 group in the uncoordinated Schiff base is disordered equally over two positions.In the mononuclear complex mol\u00adecule of the title compond, [ZnCl DOI: 10.1107/S1600536808011161/sg2225Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni\u22efNi distance is 3.2398\u2005(12)\u2005\u00c5.In the title azide-bridged dinuclear centrosymmetric nickel(II) complex, [Ni DOI: 10.1107/S1600536808037902/ci2712Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the two amido \u2013NH units engages in inter\u00admolecular hydrogen bonding with the pyridyl N atom, generating a helical chain running along the b axis of the ortho\u00adrhom\u00adbic unit cell.In the aminal-type title compound, C DOI: 10.1107/S1600536809025963/ng2608Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It has a similar geometry to that observed in the triphenyl\u00adphosphite and triphenyl\u00adphosphine analogues. The Pd\u2014P bond length is ca 0.04\u2005\u00c5 shorter than those in mononuclear PdCl2(P(OMe)2Ph)2, possibly due to the lower trans-influence of the bridging Cl\u2212 compared to a single-bonded Cl\u2212 atom.The title compound, [Pd DOI: 10.1107/S1600536810012055/br2142Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Their bonding modes are three monodentate carboxyl\u00adate O atoms, one O,O\u2032-bidentate carboxyl\u00adate group and one O,O\u2032-bidentate nitro group. This results in an irregular NaO7 coordination geometry for the metal ion. This connectivity leads to a layered network propagating in (100).In the crystal of the title coordination polymer, [Na(C DOI: 10.1107/S1600536810000498/hb5280Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is five-coordinated by one N atom and two O atoms from the Schiff base ligand and by two N atoms from a 1,10-phenanthroline ligand in a distorted square-pyramidal geometry. In the crystal structure, the combination of inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds results in a two-dimensional network structure parallel to (001).In the title complex, [Cu(C DOI: 10.1107/S1600536810012675/hy2297Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom shows a distorted octa\u00adhedral geometry. The crystal packing is stabilized by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.Both mol\u00adecules of the title compound, [Ni(C DOI: 10.1107/S1600536809020042/bt2961Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII center has a distorted square-pyramidal coordination with three N atoms of the 4\u2032-ferrocenyl-2,2\u2032:6\u2032,2\u2032\u2032- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254\u2005(4)\u2005\u00c5. The disordered ClO4 \u2212 anion is weakly coordin\u00adated to the CuII ion with a Cu\u2014O distance of 2.766\u2005(11)\u2005\u00c5. The two cyclo\u00adpenta\u00addienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7\u2005(1) \u00b0, and are involved in inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions with the outer pyridyl rings of the fctpy ligands [centroid\u2013centroid distance = 3.759\u2005(2)\u2005\u00c5.].The title complex, [CuFe(C DOI: 10.1107/S1600536809020753/at2803Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the structure, the anions are located on special positions. The two different Hg\u22efBr distances of 2.664\u2005(1) and 2.559\u2005(1)\u2005\u00c5 observed in the tetra\u00adbromidomercurate unit are due to the connection of Br atoms to different number of H atoms.The Hg atoms in the crystal structure of the title compound, (CH DOI: 10.1107/S1600536809005972/bt2874Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag\u2014Ncarbonitrile bond distance is significant longer than those of Ag\u2014Npyrid\u00adyl. The bond angles around the AgI atom are also not in line with those in an ideal T-shaped geometry. One type of ligand acts as the bridge that connects AgI atoms into chains along \u2212 counter-anions are linked to the hydrazone groups through N\u2014H\u22efF hydrogen bonds. Four of the F atoms of the [AsF6]\u2212 anion are disordered over two sets of sites with occupancies of 0.732\u2005(9) and 0.268\u2005(9).In the title compound, {[Ag(C DOI: 10.1107/S1600536809026907/jh2084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average Ni\u2014N and Ni\u2014O bond lengths are 2.131\u2005(13) and 2.098\u2005(11)\u2005\u00c5, respectively. An intramolecular N\u2014H\u22efO inter\u00adaction occurs. Relatively weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions between the ligands and the ClO4 \u2212 ions result in a chain extending along the b axis.In the title complex, [Ni(CH DOI: 10.1107/S1600536810034446/pv2321Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co\u2014N bonds involving the thio\u00adcyanate ligands are significantly shorter than the other two Co\u2014N bonds. The atoms of one of the eth\u00adoxy groups are essentially coplanar with the phenanthroline ring [N=C\u2014O\u2014C = 178.8\u2005(4)\u00b0], while the other eth\u00adoxy group is slightly twisted from the phenanthroline ring plane [N=C\u2014O\u2014C = 167.2\u2005(4)\u00b0]. In the crystal structure, there is a weak \u03c0\u2013\u03c0 stacking inter\u00adaction between two symmetry-related phenanthroline rings with a centroid\u2013centroid distance of 3.706\u2005(4)\u2005\u00c5.In the title complex, [Co(NCS) DOI: 10.1107/S160053680803496X/lh2718Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional network is formed by inter\u00admolecular C\u2014H\u22efN hydrogen bonds and C\u2014H\u22ef\u03c0 contacts.In the title compound, [Zn(C DOI: 10.1107/S1600536809034217/hy2222Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination bonds of the 4,4\u2032-substituted bipyridyl donors [Ru\u2014N = 2.038\u2005(3) and 2.051\u2005(3)\u2005\u00c5] are shorter than those of the 2,2\u2032-bipyridyl donors [Ru\u2014N1 = 2.065\u2005(3)\u20132.077\u2005(3)\u2005\u00c5], due to the electron-withdrawing effects of the substituents at the 4,4\u2032-positions. The angles between the pyridyl planes of the three bipyridyl ligands are 1.5\u2005(2), 6.3\u2005(3) and 8.7\u2005(2)\u00b0, respectively. The cations are connected by anions via N\u2014H\u22efF inter\u00adactions.In the title compound, [Ru(C DOI: 10.1107/S1600536809002360/kp2198Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mn(II) atom lies on an inversion centre, thus the asymmetric unit comprises one half-mol\u00adecule. The metal center is six-coordinated by two azide anions and by two chelating 4,4,5,5-tetra\u00admethyl-2--2-imidazoline-1-oxyl-3-oxide nitronyl nitroxide radical ligands, leading to two six-membered chelate rings.In the crystal structure of the title compound, [Mn(N DOI: 10.1107/S1600536809000786/kp2202Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title complex contains a 2:1 metal-to-ligand ratio of copper(II) with the hydrated form of the ligand, di-2-pyridylmethane\u00addiol. The two copper centers are bridged by a bromide ion and the alk\u00adoxy O atom, and the Cu\u2014Cu distance is 2.9801\u2005(5)\u2005\u00c5. The dimeric units are further linked by bromide ions, leading to a two-dimensional extended bridged structure. O\u2014H\u22efO hydrogen bonds are present in the crystal structure.The title complex, [Cu DOI: 10.1107/S1600536808024197/fj2131Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two cations are linked into dimers via three bridging carboxyl\u00adate groups from three 2,5-difluoro\u00adbenzoic acid units. The GdIII ion is nine-coord\u00adinated by seven O atoms and two N atoms.In the centrosymmetric title compound, [Gd DOI: 10.1107/S1600536808023507/er2055Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is an appreciable difference in the dihedral angles between the naphthalene ring system and the two benzene rings [66.88\u2005(7)\u00b0 and 88.09\u2005(6)\u00b0]. In the crystal, weak C\u2014H\u22efO inter\u00adactions involving one of the carbonyl groups and an aromatic C\u2014H group ortho to the F atom seem to stabilize the packing of the mol\u00adecules.The title compound, C DOI: 10.1107/S1600536810000486/ds2015Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination around the copper centre is distorted trigonal planar, with a bite angle of 94.7\u2005(3)\u00b0. A six-membered chelate ring in a chair conformation is formed by the coordination of the imine N atoms of the bidentate ligand to the CuI atom. This conformation is required by the crystallographic mirror symmetry. The inter\u00adplanar angle between the benzene rings is 74.85\u2005(19)\u00b0. The crystal structure exhibits weak inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions, which link the mol\u00adecules into chains along the b axis.The title compound, [CuI(C DOI: 10.1107/S1600536809005078/ez2161Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The \u2013NH\u2013 group of one anion forms an intra\u00admolecular hydrogen bond to the phenolate atom of the symmetry-related ion.The Cu atom in the title compound, [Cu(C DOI: 10.1107/S1600536808022022/hg2424Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete propane-1,3-diol mol\u00adecule is generated by crystallographic twofold symmetry and two O\u2014H\u22efO hydrogen bonds are formed with the uncoordinated O atoms of the sulfate group.In the title compound, [Zn(SO DOI: 10.1107/S1600536810014194/hb5408Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pb atom shows a distorted \u03c8-octa\u00adhedral coordination to four acetate O atoms and one isocyanate N atom, with the stereochemically active lone pair occupying one of the six sites. When the three longer Pb\u22efS inter\u00adactions are considered, the eight-coordinate geometry is based on a dodeca\u00adhedron. The Pb(CH3COO)2(NCS)]\u2212 anion has mirror symmetry. The potassium cations connect the other constituents into a three-dimensional network through electrostatic K\u22efN and K\u22efS inter\u00adactions.In the crystal structure of the title salt, K DOI: 10.1107/S1600536809021370/tk2472Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag atoms are assembled into a linear tetra\u00admer through Ag\u22efAg inter\u00adactions. Each Ag tetra\u00admer is linked by four 5-carb\u00adoxy-1H-imidazole-4-carboxyl\u00adate ligands, forming a puckered chain. The complex involves a strong intra\u00admolecular O\u2014H\u22efO hydrogen bond.In the title compound, [Ag DOI: 10.1107/S1600536809045747/hy2243Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The MnIII ion is hexa\u00adcoordinated by two N and two O atoms from two phenolate ligands and two N atoms from two azide ligands. The MnIII cation lies on an inversion centre and, as a result, the asymmetric unit comprises one half-mol\u00adecule.The title compound, [Mn(N DOI: 10.1107/S1600536808023349/ez2129Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains two independent MnII atoms, each coordinated in a distorted octa\u00adhedral MnN2O4 geometry. [Mn2(phen)2] units are bridged by 5-nitro\u00adisophthalate (nip) ligands into ladder-like chains parallel to [100]. Adjacent polymeric chains are linked by C\u2014H\u22efO and \u03c0\u2013\u03c0 inter\u00adactions [centroid-to-centroid distance = 3.6369\u2005(12)\u2005\u00c5] into a two-dimensional framework parallel to (010).The title complex, [Mn DOI: 10.1107/S1600536809009052/wm2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the cations and anions are linked by two different types of N\u2014H\u22efO hydrogen bonds, forming cation\u2013anion pairs. These pairs are hydrogen bonded to neighbouring pairs via another N\u2014H\u22efO hydrogen bonds involving an H atom of the NH2 group and one of the O atoms of the COO\u2212 group into a chain extended along the b axis.The title salt, C DOI: 10.1107/S1600536810008408/ng2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is located on an inversion centre. In the crystal structure, inter\u00admolecular N\u2014H\u22efN hydrogen bonds link the mol\u00adecules.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808018886/hk2475Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl\u00adammonio)propyl\u00adimino\u00admeth\u00adyl]phenolate Schiff base ligand, and by two N atoms from two thio\u00adcyanate ligands, forming a distorted tetra\u00adhedral geometry. In the crystal structure, adjacent mol\u00adecules are linked through inter\u00admolecular N\u2014H\u22efO hydrogen bonds, forming a chain in the [101] direction.In comparison with the previous refinement of the title complex, [Zn(NCS) DOI: 10.1107/S1600536809009568/er2062Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pd atom is located on a centre of inversion.The title compound, [PdCl DOI: 10.1107/S1600536808008337/bt2685Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the dication and dianion inter\u00adact by way of N\u2014H\u22efCl and N\u2014H\u22ef hydrogen bonds to result in a layered network propagating in (010). The hydrogen-bonding network is unbalanced, with three Cl atoms accepting two hydrogen bonds each and one Cl atom not accepting any hydrogen bonds: the latter shows the shortest Zn\u2014Cl bond length. The crystal studied was found to be an inversion twin.In the title compound, (C DOI: 10.1107/S1600536809013981/bg2253Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C9H4Cl2NO)2Cl2], is chelated by the substituted quinolin-8-olate anions in a distorted octa\u00adhedral geometry. The N-donor atoms are in a cis alignment as are the Cl atoms; the O atoms are trans to each other.The Sn DOI: 10.1107/S1600536809004371/bt2866Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by N\u2014H\u22efO and weak N\u2014H\u22efN hydrogen bonds.In the title compound, [Cu(NO DOI: 10.1107/S1600536809029936/tk2516Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Bridging by the ligands results in a ribbon structure. Adjacent ribbons are linked to the nitrate anions via O\u2014H\u22efO hydrogen bonds, forming layers. One nitrate O atom is disordered equally over two positions.In the title compound, {[Cu(C DOI: 10.1107/S1600536808027281/ng2477Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl and C\u2014H\u22efN hydrogen bonds stabilize the crystal structure.In the title complex, [PtCl DOI: 10.1107/S1600536808007228/xu2404Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent Nd atoms are linked by the bidentate pyridinium-4-carboxyl\u00adate ligands into a chain running along the b axis. The chains are further connected by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds into a three-dimensional network.In the title compound, {[Nd(NO DOI: 10.1107/S1600536808043997/hy2175Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C6H11)2(C18H11BrN2O3)], is distorted trigonal-bipyramidal, with the two cyclo\u00adhexyl groups and the imino N atom forming the equatorial plane. The axial O\u2014Sn\u2014O angle is 155.97\u2005(9)\u00b0. The presence of an intra\u00admolecular O\u2014H\u22efN hydrogen bond in the Schiff base ligand helps to stabilize the overall structure.The environment at the Sn DOI: 10.1107/S1600536810001145/hg2600Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One Sn\u2014O bond is a covalent bond [2.114\u2005(2)\u2005\u00c5], whereas the other is a dative bond [2.607\u2005(2)\u2005\u00c5]. The polymeric chain propagates along the b axis of the monoclinic unit cell.The title trimethyl\u00adtin(IV) carboxyl\u00adate, [Sn(CH DOI: 10.1107/S1600536808019533/ng2468Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta\u00adgonal-bipyramidal environment. The crystal structure displays inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions between adjacent pyridine rings, with a shortest centroid\u2013centroid distance of 3.784\u2005(3)\u2005\u00c5. The perchlorate is linked to the dinuclear cation by O\u2014H\u22efO hydrogen bonds.The cation of the salt, [Mn DOI: 10.1107/S1600536810003764/ng2727Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [ZnCl4]2\u2212 anions have a distorted tetra\u00adhedral geometry. The dihedral angles between the isoquinoline rings of the two cations are nearly equal [16.1\u2005(2) and 16.3\u2005(2)\u00b0]. In the crystal structure, the ordered linear formation is aggregated by weak inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between neighboring isoquinoline pyridine rings with a centroid\u2013centroid distance of 3.779\u2005(4)\u2005\u00c5.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536809017693/bq2137Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeII centre displays a distorted octa\u00adhedral geometry, being surrounded by one phen ligand, two \u03bc2-O atoms of two carboxyl\u00adate groups from two Hbtc ligands, one O atom from one carboxyl\u00adate of another Hbtc ligand and one terminal water mol\u00adecule. One carboxyl\u00adate group ligates two FeII cations in a \u03bc1,1 mode, while the other carboxyl\u00adate groups bonds to only one Fe atom. The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, [Fe(C DOI: 10.1107/S160053680804018X/bt2819Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The \u2013CF3 groups display rotational disorder [occupancies 0.604\u2005(14):0.396\u2005(14) and 0.410\u2005(6):0.411\u2005(6):0.179\u2005(3)] and the germacyclo\u00adbutane ring also shows disorder [occupancies 0.604\u2005(14):0.396\u2005(14)].The inter\u00adnal C\u2014Ge\u2014C bond angle in the germacyclo\u00adbutane ring of the title compound, C DOI: 10.1107/S1600536809015268/im2108Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry of the resulting CuN2O4 coordination can be described as distorted octa\u00adhedral. The the two pydc2\u2212 fragments are almost perpendicular to one another [77.51\u2005(11)\u00b0]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH2)2+ cations are present. In the crystal structure, extensive O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds [D\u22efA = 2.720\u2005(2)\u20133.446\u2005(3)\u2005\u00c5], ion pairing, C\u2014O\u22ef\u03c0 [O\u22ef\u03c0 = 3.099\u2005(2)\u2005\u00c5] and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pydc2\u2212 rings [centroid\u2013centroid distance = 3.5334\u2005(15)\u2005\u00c5] contribute to the formation of a three-dimensional supra\u00admolecular structure.In the title compound, (C DOI: 10.1107/S1600536808011938/su2053Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The naphthalene-1,4-dicarboxyl\u00adate and 1,1\u2032-diimidazole ligands bridge the Ni centres to form a two-dimensional -network, and O\u2014H\u22efO hydrogen bonds complete the structure.In the title compound, [Ni(C DOI: 10.1107/S1600536808024008/hb2770Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two short intra\u00admolecular C\u2014H\u22efO contacts occur in the mol\u00adecule.In the centrosymmetric title compound, [Zn(C DOI: 10.1107/S1600536809031109/hb5031Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ferrocenyl unit deviates from an eclipsed geometry with tilted cp rings; the inter\u00adplanar angle between the cp and imidazole rings is 114.11\u2005(4)\u00b0.In the title compound, [Fe(C DOI: 10.1107/S1600536808029231/dn2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII center coordinates to the phenolic O and azomethine N atoms of the two symmetry-related 2-[(2-pyrid\u00adyl)imino\u00admeth\u00adyl]phenolate ligands. The pyridyl N atoms do not coordinate to the CuII atom but participate in intra\u00admolecular C\u2014H\u22efN hydrogen bonding. \u03c0\u2013\u03c0 stacking between the benzene rings and between the pyridyl rings links the mol\u00adecules into a chain propagating parallel to [100].In the title compound, [Cu(C DOI: 10.1107/S1600536809026051/pv2176Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions connect the supra\u00admolecular chains into a three-dimensional network.The title supra\u00admolecular polymer, [Cu(S DOI: 10.1107/S1600536809047096/hb5217Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal centre has a distorted octa\u00adhedral coordination with the monoanionic Schiff base ligand occupying one equatorial and two axial coordination positions. The separation between V atoms is 3.214\u2005(3)\u2005\u00c5. In the crystal structure, there are N\u2014H\u22efO, C\u2014H\u22efO and C\u2014H\u22ef\u03c0 hydrogen bonds, and \u03c0\u2013\u03c0 inter\u00adactions.In the title dinuclear compound, [V DOI: 10.1107/S160053680801787X/xu2429Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The unique MnII atom is located on a crystallographic centre of inversion. Four N atoms from two chelating 1,10-phenanthroline ligands and two sulfonate O atoms from two symmetry-related 9,10-dioxoanthracene-1,5-disulfonate anions give rise to a slightly distorted octa\u00adhedral coordination environment around the MnII centre. The centroid of the central ring of the anthraquinone ligand represents another crystallographic centre of inversion. In the crystal structure, inter\u00adligand \u03c0\u2013\u03c0 stacking [centroid-to-centroid distances 3.532\u2005(1) and 3.497\u2005(3)\u2005\u00c5] and inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adactions assemble the chains into a three-dimensional supra\u00admolecular network.The title complex, {[Mn(C DOI: 10.1107/S1600536809019503/im2118Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MgII ion is hexa\u00adcoordinated to four tetra\u00adhydro\u00adfuran (THF) ligands, and two AlH4 \u2212 anions through bridging H atoms. The Al\u2014H distances are more precise compared to those previously determined . The mol\u00adecule has twofold rotation symmetry.The structure of the title compound, [Mg(AlH al. 1995. Chem. BFuhr 2002. J. Allo DOI: 10.1107/S1600536810014200/ci5044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits C\u2014H\u22efCl, N\u2014H\u22efCl and N\u2014H\u22efO hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536809004346/lx2089Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atom is six-coordinate within a distored octa\u00adhedral geometry defined by a C2Cl2O2 donor set.The mol\u00adecule of the title compound, [Sn(C DOI: 10.1107/S1600536809039269/tk2538Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is one half-mol\u00adecule in the asymmetric unit; the complex is located on a crystallographic twofold rotation axis passing through the cation and bis\u00adecting one of the (non-symmetric) ligands, which appears thus disordered over two sites of equal occupancy. In the crystal structure, weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efS inter\u00adactions contribute to the packing stabilization.In the title complex, (C DOI: 10.1107/S1600536809034114/bg2277Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two carboxyl\u00adate groups of each L ligand, which adopt a syn-anti coordination mode, combine with four MnII atoms, yielding one-dimensional chains extending along [010].The title compound, [Mn DOI: 10.1107/S1600536810008123/fi2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ninhydrin and amino\u00adthia\u00adzolidine units make a dihedral angle of 66.41\u2005(3)\u00b0. The crystal structure indicates the presence of equimolar R and S enanti\u00adomers in the crystal lattice, due to the presence of a chiral centre in the title compound.In the crystal of the title compound, C DOI: 10.1107/S1600536809025574/hg2529Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each anion bridges two Cd atoms through the terminal carboxyl\u00adate group and an imidazole N atom, forming polymeric complex chains running along the b axis. The uncoordinated water mol\u00adecule is equally disordered over two sites; occupancies were fixed as 0.5 for each disordered component. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title polymeric compound, {[Cd(C DOI: 10.1107/S1600536810013292/xu2743Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two types of coordinated zinc cations exist in the structure. One is tetra\u00adhedrally coordinated by two O and two N from two ligands, the other is octa\u00adhedrally coordinated by two N and two O from two ligands at equatorial sites and by two O atoms of water mol\u00adecules at axial sites, resulting in a two-dimensional framework. The crystal structure is stabilized by intra\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds.The title coordination polymer, [Zn(C DOI: 10.1107/S1600536808013688/rz2210Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is five-coordinated by one N atom and two O atoms from the Schiff base ligand and by two N atoms from a 2,2\u2032-bipyridine ligand in a distorted square-pyramidal geometry. In the crystal structure, the combination of inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds leads to a two-dimensional network.In the title complex, [Cu(C DOI: 10.1107/S1600536808012191/hy2129Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by N\u2014H\u22efCl, C\u2014H\u22efCl and C\u2014H\u22efS inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808015195/bt2708Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cluster, the central CuII atom is six-coordinated and lies on an inversion center. Adjacent clusters are linked via N\u2014H\u22efO hydrogen bonds between the imidazole cations and polyoxidoanions into a three-dimensional supra\u00admolecular architecture.The title compound, (C DOI: 10.1107/S1600536810037414/hy2352Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00adactions of the \u03c0\u2013\u03c0 type are absent between cations in the stacks [centroid\u2013centroid separation = 5.01\u2005(5)\u2005\u00c5]. Significant inter\u00admolecular Br\u2013aryl inter\u00adactions are present in the structure, especially an unusually short Br\u2013ring centroid inter\u00adaction of 3.78\u2005(1)\u2005\u00c5. The coordination geometry of the anion is approximately tetrahedral and a twofold rotation axis passes through the Co atom.In the crystal structure of the title compound, (C DOI: 10.1107/S160053680800439X/at2543Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl groups of the coordinated dimethyl\u00adformamide mol\u00adecule and the perchlorate anions are disordered over two positions with occupancy factors of 0.640\u2005(8) and 0.360\u2005(8).In the title complex, [Mn(C DOI: 10.1107/S1600536810036457/is2590Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Five O atoms of the central PtO6 octa\u00adhedron and one O atom of an outer edge-sharing MoO6 octa\u00adhedron are protonated. The polyanions are connected by almost linear O\u2014H\u22efO hydrogen bonds between protonated and unprotonated Ob atoms. Further consolidation of the crystal structure is accomplished by extensive O\u2014H\u22efO hydrogen bonding involving the uncoordinated water mol\u00adecules. The two independent K+ cations are equally disordered about a twofold rotation axis.The title compound, KNa[H DOI: 10.1107/S160053681000228X/wm2298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The alkyl chains of the ligands are equally disordered over two sets of sites.In the title compound, [Zn(C DOI: 10.1107/S1600536810002825/hb5312Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cl atom located in the side chain of the ligand is involved in inter\u00admolecular C\u2014H\u22efCl hydrogen bonding, which links neutral complex units into a one-dimensional right-handed helical chain running along a crystallographic 41 axis. Such hydrogen-bonded helical chains are connected to each other to form a homochiral three-dimensional supra\u00admolecular network. One C atom of the 2-chloro\u00adethyl chain is disordered over two positions, with site-occupancy factors of 0.52 and 0.48.In the title compound, [CoCl DOI: 10.1107/S1600536808018011/om2235Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 2-fluoro\u00adbenzoate ligands bridge Pb atoms, giving rise to a one-dimensional chain structure extending along the [100] direction. The polymeric chains are connected via C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions, with an inter\u00adplanar distance of 3.46\u2005(1)\u2005\u00c5. An intramolecular O\u2014H\u22efF interaction is also present.In the title compound, [Pb DOI: 10.1107/S1600536808022678/hy2143Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Barium is deca\u00adcoordinated by O atoms. These units are linked together through bridging nitro groups to form a one-dimensional polymeric chain. The three-dimensional packing is facilitated through hydrogen-bonding inter\u00adactions mediated through water mol\u00adecules. The coordination distances around Ba vary from 2.728\u2005(4) to 3.138\u2005(5)\u2005\u00c5. The crystal sample, on exposure to air at room temperature for many days, slowly loses the water and peels out as filaments.The asymmetric unit of the title compound, [Ba(C DOI: 10.1107/S1600536808002961/sg2220Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.In the title compound, [Ni(C DOI: 10.1107/S1600536809028190/cv2585Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anions, the AgI atoms adopt near linear coordination modes with the two attached cyanide groups [C\u2014Ag\u2014C = 173.3\u2005(2)\u00b0]. In the crystal structure, each H2btb cation links four [Ag(CN)2]\u2212 anions via N\u2014H\u22efN hydrogen bonds into a one-dimensional ribbon.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536808015791/bt2718Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent zwitterions are linked into a linear chain running along the a axis by an indole\u2013hydr\u00adoxy N\u2014H\u22efO hydrogen bond [3.100\u2005(2)\u2005\u00c5].The title Schiff base, C DOI: 10.1107/S1600536808011185/bv2090Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ions are linked via N\u2014H\u22efCl hydrogen bonds into chains running along the b axis.The crystal structure of the title compound, (C DOI: 10.1107/S1600536808007368/ya2069Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two tartrate half-anions in the asymmetric unit, both of which are completed by crystallographic twofold rotation symmetry. The tartrate dianions bridge the Mn2+ ions to form a wave-like infinite layer. A series of O\u2014H\u22efO hydrogen bonds link the layers into a three-dimensional network.In the title compound, {[Mn(C DOI: 10.1107/S1600536807067839/hb2676Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is five-coordinate, binding to the imine N, pyridine N, and amine N atoms of the Schiff base ligand and to two bromide anions in a distorted trigonal-bipyramidal coordination geometry. Adjacent mol\u00adecules are linked through inter\u00admolecular N\u2014H\u22efBr hydrogen bonds, forming dimers.The title complex, [ZnBr DOI: 10.1107/S1600536808023660/sj2523Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Mo atom is coordinated by an \u03b75-cyclo\u00adpenta\u00addienyl ligand, two carbonyl ligands and a diphenyl\u00adphosphine ligand in a piano-stool fashion.The title compound, [Mo DOI: 10.1107/S1600536808017996/hg2402Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral between the naphthalene ring system and the bridging carbonyl C\u2014C(=O)\u2014C plane is 54.68\u2005(6)\u00b0, far larger than that [12.54\u2005(7)\u00b0] between the phenyl group and the bridging carbonyl group. The nitro group and the phenyl ring are almost coplanar [O\u2014N\u2014C\u2014C torsion angle = 2.94\u2005(19)\u00b0]. In the crystal, mol\u00adecules are linked by C\u2014H\u22ef\u03c0 inter\u00adactions and the phenyl rings are involved in a centrosymmetric \u03c0\u2013\u03c0 inter\u00adaction with a perpendicular distance of 3.523\u2005\u00c5 and a lateral offset of 1.497\u2005\u00c5. In addition, weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds are formed between an H atom of one meth\u00adoxy group and a nearby carbonyl O atom.In the title compound, C DOI: 10.1107/S1600536810005398/fl2290Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is stablized by inter\u00admolecular O\u2014H\u22efBr and O\u2014H\u22efO inter\u00adactions.In the title compound, tetra\u00adkis[\u03bc DOI: 10.1107/S1600536810015369/bx2274Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two cores form centrosymmetric dimers by intermolecular C\u2014H\u22efO contacts. These dimeric units are further connected by chloro\u00adform solvent mol\u00adecules involved in C\u2014H\u22efO and C\u2014H\u22efCl inter\u00adactions into strands along [010]. The five-membered Sb2O3 rings in the Sb4O8 core invariably adopt envelope conformations.The title compound, [Sb DOI: 10.1107/S160053680804419X/gk2183Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The symmetry-equivalent VV atoms exhibit coordination geometries defined by cis-terminal fluoride and oxide groups, unsymmetrically bridging oxide groups and the N-atom donors of the phenanthroline ligands. The crystal packing is stabilized by weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efF hydrogen bonds.The title compound, [V DOI: 10.1107/S1600536810037232/lh5133Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The S and methyl\u00adene C atoms connected to the five-membered ring lie within this plane. The remaining two methyl\u00adene groups of the thia\u00adzine ring are disordered over two sets of sites in a 0.817\u2005(5):0.183\u2005(5) ratio.The imidazopyridine ring system in the title compound, C DOI: 10.1107/S1600536810012778/bt5242Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the latter also bonds to the second TbIII centre through one of its O atoms. The third dfb anion bonds to one Tb atom from each of its O atoms. Thus, the three dfb species have three different coordination modes. This results in an irregular TbN2O7 coordination sphere for the metal ion. The F atoms and their associated H atoms in the simple bidentate dfb anion are disordered over two sets of sites in a 0.672\u2005(10):0.328\u2005(10) ratio.In the centrosymmetric dinuclear title compound, [Tb DOI: 10.1107/S1600536808043936/hb2812Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The monomeric unit is composed of octa\u00adhedral CrIII and NaI units, and is characterized by twofold rotation symmetry. The CrIII atom is chelated by two N and four O atoms from two [(5-chloro-2-oxidophen\u00adyl)diazen\u00adyl]-2-naphtholate ligands. The ligand anion exists in the cis form. The NaI atom is coordinated by two phen\u00adoxy O atoms from a neighboring CrIII unit, two naphth\u00adoxy O atoms from another neighboring CrIII unit and two O atoms from acetone mol\u00adecules. The dinuclear complex forms a one-dimensional polymer running along the c axis.The title compound, [CrNa(C DOI: 10.1107/S1600536808000433/is2268Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the 2,9-dieth\u00adoxy-1,10-phenanthroline ligand, the O and C atoms of the eth\u00adoxy groups are located almost in the plane defined by the phenanthroline ring system. Two dicyanamide ions bridge two CdII ions, which are located on a twofold axis, forming a one-dimensional zigzag chain along the [001] direction. The 2,9-dieth\u00adoxy-1,10-phenanthroline mol\u00adecules act as bidentate terminal ligands. There are \u03c0\u2013\u03c0 inter\u00adactions between polymeric chains, characterized by a centroid\u2013centroid distance of 3.7624\u2005(2)\u2005\u00c5 between the phenanthroline rings of two neighbouring chains.In the title polymer, [Cd(C DOI: 10.1107/S1600536808021727/bh2180Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In one cation, the CuII ion is coordinated in a slightly distorted square-planar geometry, while in the other the CuII ion is in a slightly distorted square-pyramidal environment. In the crystal structure, there are O\u2014H\u22efO hydrogen bonds between coordinated water mol\u00adecules and perchlorate anions. Both types of cations are linked into one-dimensional chains along the b axis by weak electrostatic Cu\u22efCl inter\u00adactions, with Cu\u22efCl distances of 2.8088\u2005(16) and 3.2074\u2005(17)\u2005\u00c5.The asymmetric unit of the title compound, [CuCl(C DOI: 10.1107/S1600536809027123/lh2860Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The piperidine ligand occupies an equatorial position trans to one of the imine N atoms of the salicyl\u00adidene. In the observed conformation of the penta\u00addentate ligand, the salicyl\u00adidene rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN4O2 coordination can be described as distorted octa\u00adhedral. The asymetric unit contains two formula units.The title compound, [Co(C DOI: 10.1107/S1600536808003875/ci2550Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The RhIII atom is in a distorted octa\u00adhedral RhCI2O2P coordination with considerably different Rh\u2014I distances to the bridging iodide anions. There are no classical hydrogen-bonding inter\u00adactions observed for this complex.The title compound, [Rh DOI: 10.1107/S1600536809043050/wm2267Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "C\u2014H\u22efCl inter\u00adactions are also observed. In the triaryl\u00adimine mol\u00adecule, the naphthalene ring system makes dihedral angles of 80.39\u2005(6) and 82.35\u2005(6)\u00b0, respectively, with the phenyl and benzene rings. The dihedral angle between these two latter rings is 87.09\u2005(7)\u00b0.In the crystal structure of the title cocrystal, 2C DOI: 10.1107/S1600536810034690/is2593Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex crystallizes with two independent mol\u00adecules in the asymmetric unit, which differ in the conformation of the propenyl unit, resulting in their having opposite helicity. No inter\u00admolecular inter\u00adactions or inter\u00adactions involving the Si\u2014H bond are present. The observed geometrical parameters are unexceptional compared to known structures of the same type.The title compound, [Ti(C DOI: 10.1107/S1600536809044845/rk2178Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex anion, the Nd3+ ion has an eightfold coordination environment formed by the sulfonyl and phosphoryl O atoms of four bidentate chelating N-(dimorpholinophosphor\u00adyl)benzene\u00adsulfonamidate ligands: the resulting NdO8 polyhedron can be described as inter\u00admediate between dodeca\u00adhedral and square anti\u00adprismatic. The sodium ion adopts an NaO4 tetra\u00adhedral geometry arising from four monodentate benzene\u00adsulfonamidate ligands. The resulting crystal structure is unusual because it contains substantial voids (800\u2005\u00c53 per unit cell), within which there is no evidence of included solvent.The cubic crystal structure of the title compound, [NaNd(C DOI: 10.1107/S1600536810008214/hb5339Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI atom has a distorted tetra\u00adhedral environment formed by two P atoms from triphenyl\u00adphosphine, one S atom from the dmtu ligand and one Cl atom. In addition, the mol\u00adecules exhibit intra- and inter\u00admolecular N\u2014H\u22efCl inter\u00adactions.The title compound, [CuCl(C DOI: 10.1107/S1600536809026798/pk2174Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centres are connected via the tridentate L ligands into a three-dimensional polymeric structure.In the title compound, [Cd(C DOI: 10.1107/S160053680904255X/cv2629Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The observed Pt\u2014I bond distances of 2.6094\u2005(5) and 2.6130\u2005(5)\u2005\u00c5 are in the expected range for PtI2 complexes. The C=C double bonds in the mol\u00adecule differ significantly [1.373\u2005(10) and 1.403\u2005(10)\u2005\u00c5]. As expected for a platinum(II) complex, the PtII atom is in a square-planar environment (\u03a3Pt\u03b1= 359.71\u00b0).The monoclinic title complex, [PtI DOI: 10.1107/S1600536809029997/bg2283Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "J. Soli DOI: 10.1107/S1600536808033394/wm2190Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809003584/hb2904Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ReV atom adopts a trans-ReO2N4 octa\u00adhedral coordination and short intra\u00admolecular C\u2014H\u22efO contacts occur within the cation. In the crystal, the cations form layers perpendicular to [100] and a weak C\u2014H\u22efO inter\u00adaction links the cations.In the title salt, [ReO DOI: 10.1107/S1600536809030724/hb5027Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title compound, (C DOI: 10.1107/S1600536810010196/dn2549Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom is chelated by two S,S\u2032-bidentate dithio\u00adcarbamate anions and the N,N\u2032-bidentate heterocycle, resulting in a distorted cis-ZnN2S4 octa\u00adhedral geometry. The methyl and ethyl groups of the anion are statistically disordered.The complete mol\u00adecule of the title compound, [Zn(C DOI: 10.1107/S1600536810002606/hb5313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the benzimidazolium and naphthalene ring systems is 81.9\u2005(3)\u00b0. In the crystal structure, \u03c0\u2013\u03c0 stacking inter\u00adactions are observed between the imidazolium ring and the unsubstituted benzene ring of the naphthalene ring system, with a centroid\u2013centroid separation of 3.510\u2005(5)\u2005\u00c5. In the centrosymmetric anion, the Hg(II) atoms are in a distorted tetrahedral coordination. The dimethyl sulfoxide solvent mol\u00adecule is disordered over two sites with occupancies of 0.615\u2005(9) and 0.385\u2005(9).In the title compound, (C DOI: 10.1107/S1600536809046376/ci2946Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The axial Ru\u2014P bonds are longer than the equatorial Ru\u2014P bonds and there is an acute P\u2014Ru\u2014P angle.The crystal structure of a racemic mixture of the title ruthenium(II) complex, [RuCl(C DOI: 10.1107/S1600536809023034/lh2843Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In each HgCl2 unit, the HgII ion is strongly bonded to two Cl atoms, and the HgII ions in two of the HgCl2 units are chelated by O atoms of two l-proline ligands, with one strong and one weak Hg\u2014O bond. In the crystal structure, HgCl2 and L-proline units are linked to form an extended chain along the a axis. The chain structure is further stabilized by N\u2014H\u22efCl hydrogen bonds, and the chains are arranged in layers parallel to the ab plane. The structure of the title compound was originally determined by Ehsan, Malik & Haider but no three-dimensional coordinates are available.The asymmetric unit of the title compound, [Hg DOI: 10.1107/S160053680802196X/lh2640Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Their crystal packing is stabilized by C\u2014H\u22ef\u03c0 contacts involving the meth\u00adoxy groups. The solvent mol\u00adecule is located inter\u00adstitially between two calixarene units with C\u2014H\u22efCl contacts to meth\u00adoxy and tert-butyl groups. One tert-butyl residue of each calixarene mol\u00adecule is disordered over two positions (occupancies 0.60/0.40 and 0.63/0.37), resulting in bond distances that deviate from ideal values. The tetra\u00admer calixarene mol\u00adecules present models with approximate non-crystallographic sC symmetry.In the title compound, C DOI: 10.1107/S1600536808002304/si2068Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [CoCl2(C4H5N3)4], exists in an all-trans Cl2N4Co octa\u00adhedral geometry. The CoII atom lies on a special position of 2 site symmetry. Adjacent mol\u00adecules are linked by N\u2014H\u22efN and N\u2014H\u22efCl hydrogen bonds into a three-dimensional network.The Co DOI: 10.1107/S1600536809045309/xu2656Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808036131/pv2114Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One AgI ion is coordinated by two triphenyl\u00adphosphine groups with a square-planar geometry, while the second is coordinated by one triphenyl\u00adphine group with a trigonal-planar geometry. The structure is very similar to that of the dichloro\u00admethane solvate reported by Zhu, Huang & Zheng . The tetrahydrofuran solvent molecule is disordered and was refined with a fixed occupancy of 0.85.In the title binuclear silver(I) complex, [Ag DOI: 10.1107/S1600536809010241/su2091Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The non-planar cyclo\u00adtriphosphazene ring accommodates two Cd ions, and only four out of six exocylcic pyrazolyl ligands are bound to the Cd metal atoms. Each of these two symmetry-related Cd atoms is coordinated by two bidentate nitrato ligands, two exocylic pyrazolyl N atoms, and one cyclo\u00adtriphosphazene N atom.The complete title complex, [Cd DOI: 10.1107/S160053680803585X/hb2796Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ centre is chelated by three bidentate 2,2\u2032-bi-1H-benzimidazole mol\u00adecules in a distorted octa\u00adhedral coordination. N\u2014H\u22efO hydrogen bonds consolidate the building units into a framework structure.The title compound, [Ni(C DOI: 10.1107/S1600536808032571/at2642Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted square\u2013pyramidal N2O3 coordination geometry is completed by an O atom derived from a perchlorate anion.In the centrosymmetric and dinuclear title complex, [Mn DOI: 10.1107/S1600536808035551/tk2317Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efO hydrogen bond exists between the oximic hydr\u00adoxy group of one ligand and the metal-coordinated O atom of the symmetry-related ligand. The dimethyl\u00adformamide solvent mol\u00adecules are connected to the phenolate groups of the complex via O\u2014H\u22efO hydrogen bonds. The Ni atom of the title complex, [Ni(C DOI: 10.1107/S1600536809039257/tk2537Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond lengths in the guanidinium cation are inter\u00admediate between normal C\u2014N and C=N bond lengths, indicating significant delocalization in this species. In the crystal structure, inter\u00admolecular N\u2014H\u22efCl inter\u00adactions generate R 2 1(6) ring motifs. These ring motifs are further inter\u00adconnected by inter\u00admolecular N\u2014H\u22efO hydrogen bonds into infinite chains along [010].In the title compound, guanidinium chloridotrioxidochrom\u00adate(VI), (CH DOI: 10.1107/S1600536810002710/hb5314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536809032061/hb5046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions between the pyrazole ring H atom and the toluene ring stabilize the crystal structure.In the title complex, [Pd DOI: 10.1107/S1600536809010629/hy2189Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The perchlorate anion is hydrogen bonded to the amino H atoms and inter\u00adacts weakly with the silver(I) atoms (Ag\u2014O > 2.70\u2005\u00c5), both located on inversion centres, and some aromatic H atoms (O\u2014H > 2.55\u2005\u00c5A), thereby extending the dimensionality of the assembly. This is the first silver complex in which this ligand acts in a bridging mode.Reaction of 4-amino\u00adpyridine with silver(I) perchlorate leads to a one-dimensional coordination polymer, {[Ag(C DOI: 10.1107/S1600536810037682/bv2161Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom forms five- and six-membered chelate rings with the O,N,O\u2032-tridentate ligand. The two cyclo\u00adhexyl groups bound to the Sn atom adopt chair conformations, with the Sn\u2014C bonds in equatorial positions and a mean Sn\u2014C distance of 2.138\u2005(3)\u2005\u00c5.In the title compound, [Sn(C DOI: 10.1107/S1600536809008393/sj2591Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mo\u2014Sn bond length [2.7584\u2005(5)\u2005\u00c5] and the distortion of the tetra\u00adhedral tin coordination geometry are similar to those observed in related tin-substituted tricarbonyl\u00admolybdenum and -tungsten complexes.Reaction of the tricarbon\u00adyl{\u03b7 DOI: 10.1107/S1600536809014329/si2168Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810013541/hb5404Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The molecule lies on a crystallographic twofold rotation axis. Each Zn atom is penta\u00adcoordinated by two N atoms and two bridging O atoms of the tridentate salicylideneiminate ligands and one C atom from an ethyl group, forming a distorted square-pyramidal environment.The title complex, [Zn DOI: 10.1107/S1600536807065208/at2521Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chelating ligand exists in a zwitterionic form. Adjacent molecules are linked by an N\u2014Hpyridinium\u22efO hydrogen bond, forming a chain running along the c axis of the orthorhombic unit cell.The Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536809020339/tk2469Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "H)-thiolate anions in the asymmetric unit of the title compound, Na+\u00b7C2H2N3S2 \u2212\u00b72H2O, which are almost perpendicular to each other [dihedral angle = 84.64\u2005(6)\u00b0]. The two Na+ cations are in distorted fourfold coordinations by O atoms of the water molecules. The crystal structure is stabilized by N\u2014H\u22efS, O\u2014H\u22efN and O\u2014H\u22efS hydrogen bonds.There are two 5-amino-1,3,4-thia\u00addiazole-2(3 DOI: 10.1107/S1600536809051897/pk2208Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeIII cation is chelated by three Schiff base ligands via three N and three O atoms, and exhibits a slightly distorted octa\u00adhedral geometry. The longest Fe\u2014O and Fe\u2014N bonds lie trans to each other and may be regarded as axial bonds, while the equatorial plane contains two mutually trans O and two trans N atoms.The title compound, [Fe(C DOI: 10.1107/S1600536808018540/cf2206Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are minimal geometric differences between the two planar [maximum deviations 0.061\u2005(2) and 0.088\u2005(2)\u2005\u00c5] cations, and between the two almost planar anions . Extensive O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonding between all components of the structure leads to the formation of a two-dimensional array with an undulating topology in the bc plane.The asymmetric unit of the title salt hydrate, 2C DOI: 10.1107/S1600536809048612/hg2595Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cyclo\u00adpenta\u00addienyl rings of the two ferrocene units are almost parallel [dihedral angles of 0.7\u2005(4) and 1.0\u2005(4)\u00b0 in the two units] and eclipsed, as is typically found for similar monosubstituted ferrocene derivatives. The dihedral angle formed by the two benzene rings is 20.2\u2005(3)\u00b0. The Fe\u2014C bond lengths to the two substituted Cp rings vary from 2.014\u2005(4) to 2.070\u2005(3)\u2005\u00c5, and are in the normal range. In the crystal, mol\u00adecules are linked by C\u2014H\u22efN inter\u00adactions, forming an infinite two-dimensional network.In the title compound, [Fe DOI: 10.1107/S1600536809035788/su2133Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In addition to the usual inter\u00admolecular C\u2014H\u22efO hydrogen bonding, short intra\u00admolecular C\u2014H\u22efS contacts and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.762\u2005(2)\u2005\u00c5] contribute to the crystal packing.In the title compound, C DOI: 10.1107/S1600536808007356/rk2081Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two crystallographically independent oxalate ligands, each lying on an inversion center, act as bridging ligands, linking Nd atoms into an extended zigzag chain. Neighboring chains are linked by the pyrazine-2-carboxyl\u00adate ligands into a two-dimensional layerlike network in the (10In the title complex, [Nd(C DOI: 10.1107/S1600536809031250/hy2217Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both complexes afford a six-coordinated coordination environment about the Zn atoms with cis-configuration ligands. The deprotonated hydr\u00adoxy groups of the 3,5-dichloro\u00adsalicylaldehyde ligands bridge two metal cations, forming a centrosymmetric dimeric complex. Inter\u00admolecular O\u2014H\u22efO hydrogen bonding occurs between the coordinated water mol\u00adecules and deprotonated hydr\u00adoxy groups in the crystal structure.The crystal of the title compound, [Zn(C DOI: 10.1107/S160053680904896X/xu2645Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging phenyl\u00adcyanamide anions generate an infinite chain propagating in [001].In the title coordination polymer, [Co(C DOI: 10.1107/S160053681000557X/hb5302Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adaction between the pyridine rings [centroid\u2013centroid distance = 3.900\u2005(4)\u2005\u00c5] is observed. The CdII atom has a distorted tetra\u00adhedral coordination.In the cation of the title compound, (C DOI: 10.1107/S1600536808030092/is2330Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The centroid\u2013centroid distances of 3.809\u2005(2) and 3.680\u2005(2)\u2005\u00c5 between nearly parallel pyridine rings of the phen ligands and the benzene rings of dhba anions indicate that the dhba anions are involved in \u03c0\u2013\u03c0 stacking in the crystal structure. The face-to-face separation of 3.35\u2005(3)\u2005\u00c5 between parallel phen ring systems also suggests \u03c0\u2013\u03c0 stacking between adjacent complex mol\u00adecules. The crystal structure contains extensive O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding.In the crystal structure of the title compound, [Cd(C DOI: 10.1107/S1600536808018126/rk2092Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by various \u03c0\u2013\u03c0 stacking inter\u00adactions in which the benzene ring, a pyridine ring and the five-membered CuN2C2 ring are involved. The centroid\u2013centroid distances range from 3.5631\u2005(15) to 3.5666\u2005(16)\u2005\u00c5.In the title mononuclear complex, [CuCl DOI: 10.1107/S160053680801948X/lh2647Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment of the Zn2+ ion is distorted square-pyramidal and it is coordinated by N2O2 of the Schiff base ligand and chloride; each Pb2+ ion is coordinated by the four 6,6\u2032-dimeth\u00adoxy-2,2\u2032-[o-phenyl\u00adene\u00adbis(nitrilo\u00admethyl\u00adidyne)]diphenolate (L) O atoms and two chloride ions. The ZnIIPbII dinuclear unit, through an inversion-symmetry operation, forms a tetra\u00admeric complex with double chloride bridges.The title compound, [Pb DOI: 10.1107/S1600536808032704/kp2192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two six-membered CrC3N2 rings in the cation adopt anti chair\u2013chair conformations with respect to each other. The perchlorate anion is disordered over two positions in respect of the Cl and an O atom in a 6:4 ratio. N\u2014H\u22efO hydrogen bonds link the cations and anions into a layer structure.In the title salt, [CrCl DOI: 10.1107/S1600536808032911/ng2499Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is composed of centrosymmetric dimers lying about inversion centres. Both independent Sn atoms adopt distorted trigonal-bipyramidal SnC2O3 coordination geometries with the basal planes consisting of two C-atoms from the methyl groups and a bridging O atom. The Sn\u2014C and Sn\u2014O bond lengths lie in the ranges 2.090\u2005(2)\u20132.104\u2005(3) and 2.0241\u2005(14)\u20132.2561\u2005(15)\u2005\u00c5, respectively. The central four-membered planar Sn2O2 ring [Sn\u22efSn distance = 3.2993\u2005(2)\u2005\u00c5] makes dihedral angles of 5.43\u2005(11) and 59.50\u2005(7)\u00b0 with the methyl\u00adphenyl groups, which are themselves oriented at a dihedral angle of 61.38\u2005(8)\u00b0. Besides weak C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions, the packing mainly features van der Waals forces between the mol\u00adecules.The title compound, [Sn DOI: 10.1107/S1600536810036512/wm2399Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII ion is coordinated by two N atoms and two O atoms from two 1,5-biphenyl\u00adcarbazide ligands, and two O atoms from two methanol molecules. Two diphenyl\u00adcarbazidate ligands and the central CoII ion form the basal plane, with the two methanol mol\u00adecules located in axial positions. The crystal packing is defined by bifurcated O\u2014H\u22efN hydrogen bonding and intra\u00admolecular N\u2014H\u22efO inter\u00adactions.The structure of the title compound, [Co(C DOI: 10.1107/S1600536809055305/kp2244Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging Cl atoms and the bridging H2mbdpz ligands connect the Cu atoms to build up an extended one-dimensional chain. The chains are further connected through N\u2014H\u22efCl hydrogen bonds to build up a two-dimensional layer in the (011) plane. An inversion centre lies between every pair of adjacent Cu atoms.In the title compound, [Cu DOI: 10.1107/S1600536808006909/dn2323Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex cations, the NaI centre is coordinated by five O atoms of the 2,3-naphtho-15-crown-5 ligand and one water O atom. The complex mol\u00adecules form a two-dimensional network via weak O\u2014H\u22efS inter\u00adactions between adjacent cations and anions The title complex, [Na(C DOI: 10.1107/S1600536809038641/pk2189Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efCl and O\u2014H\u22efO hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.In the title compound, [CoCl(C DOI: 10.1107/S1600536808042591/cv2481Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is five coordinate with a distorted trigonal\u2013bipyramidal geometry, coordinating with three N atoms of the Schiff base (2-morpholinoeth\u00adyl)(2-pyridylmethyl\u00adidene)amine and two N atoms from two thio\u00adcyanate ligands. The morpholine ring adopts a chair configuration.The title compound, [Zn(NCS) DOI: 10.1107/S1600536808044061/su2087Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nitro group is essentially coplanar with the benzene ring. The F atoms of the CF3 group are disordered over two positions with almost equal occupancy [0.531\u2005(12)/0.469\u2005(12)]. The crystal structure is stabilized by N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536808021405/bt2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the absence of any strong hydrogen bonds, the structure results from a large number of competing weaker inter\u00adactions including Cl\u22efCl [3.4610\u2005(5)\u2005\u00c5] and C\u2014H\u22efCl contacts and both (aryl) C\u2014H\u22efBr and N+\u2014Csp 3\u2014H\u22efBr\u2212 cation\u2013anion inter\u00adactions.In the title compound, C DOI: 10.1107/S160053680902159X/jh2078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal center is five-coordinate in a trans-Br2SnC3 trigonal bipyramidal geometry. The cation is disordered about a center of inversion.The anion in the title salt, (C DOI: 10.1107/S1600536808011094/sg2227Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The toluene solvent mol\u00adecules occupy channels defined by the three-dimensional stacking of the polymeric chains. The Ni atom is located at a centre of inversion and the bridging 1,2-bis\u00ad(4-pyridylmethyl\u00adene)hydrazine4-pyridine mol\u00adecule is also disposed about a centre of inversion. One isobutoxy group is disordered equally over two positions.The polymeric title compound, {[Ni(C DOI: 10.1107/S1600536808017121/ng2459Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each ZnO6 octa\u00adhedron is sandwiched between two ZnO4N square-pyramids, forming a trinuclear zinc secondary building unit (SBU); each SBU is further linked by six 2,5-dimethyl\u00adbenzene\u00addicarboxyl\u00adate ligands with six adjacent trinuclear zinc SBU\u2019s, forming a two-dimensional layer structure with a net. One of the three zinc ions is octa\u00adhedrally coordinated and the other two are square-pyramidally coordinated. The coordination modes for 2,5-dimethyl\u00adbenzene\u00addicarboxyl\u00adates are bis\u00ad(bidentate) or bidentate-tridentate. The asymmetric unit of the title polymeric compound, [Zn DOI: 10.1107/S1600536810004848/bv2132Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom has a square-pyramidal geometry arising from an N2O3 donor set, being coordinated by two N atoms and two O atoms from the macrocyclic ligand in the equatorial sites and one O atom from an acetate anion in the apical site. The two ZnII atoms are linked by two phenolate O atoms, generating a four-membered Zn2O2 ring at the centre of the macrocycle. The tert-butyl group shows rotational disorder over two sets of sites in a 0.552\u2005(12):0.448\u2005(12) ratio. In the crystal, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are seen and a short intra\u00admolecular C\u2014H\u22efO contact occurs.In the title compound, [Zn DOI: 10.1107/S1600536809021990/hb2961Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are formed and the complexes form stacks along the b axis, with an inter\u00adplanar separation of 3.332\u2005(1)\u2005\u00c5 between complexes. Pairs of C\u2014H\u22efO contacts are formed between complexes in neighbouring stacks.In the title compound, [Co(C DOI: 10.1107/S1600536808039512/bi2324Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A weak intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs. The crystal structure displays weak inter\u00admolecular C\u2014H\u22efCl inter\u00adactions.In the crystal structure of the title compound, [Sn(CH DOI: 10.1107/S1600536809055810/nc2173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A crystallographic twofold axis bisects the molecule.The title compound, C DOI: 10.1107/S1600536808015377/fj2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one half-mol\u00adecule, the other half being generated by the inversion center. Each CuII atom shows a slightly distorted trigonal-pyramidal geometry formed by two N atoms and one O atom from one Schiff base ligand, by another O atom of a second Schiff base ligand and by an azide N atom. The crystal structure is stabilized by intermolecular C\u2014H\u22efN hydrogen bonds.The title compound, [Cu DOI: 10.1107/S1600536809030475/at2842Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III analogue and consists of corrugated layers with an overall composition of [FeTe2O6]\u2212 together with Na+ cations. The layers extend parallel to (001) and are made up of [Fe2O10] edge-shared octa\u00adhedral dimers and TeO3 trigonal pyramids sharing vertices. The Na+ cations are located in the cavities of this arrangement and link adjacent [FeTe2O6]\u2212 layers via distorted [NaO8] polyhedra.The hydro\u00adthermally prepared title compound, sodium iron(III) bis\u00ad[trioxotellurate(IV)], is isotypic with its Ga DOI: 10.1107/S1600536807065403/hb2673Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by N\u2014H\u22efO, N\u2014H\u22efN, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds. In addition, weak \u03c0\u2013\u03c0 inter\u00adactions are observed between symmetry-related thia\u00addiazole ring systems .The title compound, C DOI: 10.1107/S1600536809021825/at2800Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the two independent dinuclear mol\u00adecules comprising the asymmetric unit is disposed about a center of inversion. In the crystal, molecules are linked by an O\u2014H\u22ef hydrogen bond.The Sn atoms in the dinuclear title compound, [Sn DOI: 10.1107/S1600536809019758/tk2460Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each cadmium(II) unit is chelated by a 1,10-phenanthroline (phen) group and two acetate ligands, one of which also acts as a bridge, linking both seven-coordinated cadmium(II) centres. The crystal structure is governed by a single \u03c0\u2013\u03c0 inter\u00adaction between stacked phen groups [centroid\u2013centroid distance 3.5209\u2005(11)\u2005\u00c5], leading to a planar structure parallel to (010).The title compound, [Cd DOI: 10.1107/S1600536808029462/kj2097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuO5 coordination is formed by five O atoms from the carboxyl\u00adate groups of five 5-chloro-2-nitro\u00adbenzoate ligands. This coordination leads to the formation of centrosymmetric binuclear units which are edge-shared, forming a linear chain along the a axis, with the CuII ions alternately separated by 2.5891\u2005(4) and 3.1763\u2005(4)\u2005\u00c5. The chains are inter\u00adconnected into a three-dimensional network by C\u2014H\u22efO inter\u00adactions.In the title compound, [Cu DOI: 10.1107/S1600536809001895/ci2748Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Na+ cations are coordinated in an octa\u00adhedral geometry by two carboxyl\u00adate O atoms, two sulfonyl O atoms and two water O atoms. The latter two ligands occupy trans positions. The polymeric network structure of the title complex is characterized by a layered assembly parallel to (001) and is further consolidated by N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions.The asymmetric unit of the title compound, [Na(C DOI: 10.1107/S1600536809028505/fj2240Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These ions inter\u00adact by means of inter\u00admolecular N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds to form a two-dimensional array. The carboxyl\u00adate groups of the anions appear to be delocalized on the basis of the C\u2014O bond lengths.The title compound, C DOI: 10.1107/S1600536809019424/tk2459Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II ion in the one-dimensional title complex, {[Ni2(C4H2O4)(OH)2(C10H9N3)2]\u00b72H2O}n, has a distorted square-pyramidal coordination environment formed by three O atoms from two bridging hydroxide groups and one carboxyl\u00adate group of the fumarate ligand and two pyridine N atoms from a di-2-pyridylamine (dpa) ligand. Two hydroxide groups link adjacent metal centers, forming a centrosymmetric four-membered [Ni2(OH)2] ring. In the crystal structure, the H atoms of the bridging hydroxide groups form inter\u00admolecular hydrogen bonds to both water mol\u00adecules. These are further linked to the uncoordinated O atoms of the carboxyl\u00adate groups and the NH group of a dpa ligand to generate a three-dimensional network from the chains of the coordination polymer.The Ni DOI: 10.1107/S1600536809013580/sj2613Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One sodium cation is bonded to four water O atoms and one vanillinate O atom in a distorted square-based pyramidal arrangement; the other Na+ ion is six-coordinated by four water O atoms and two vanillinate O atoms in an irregular geometry. One of the vanillinate anions is directly bonded to two sodium ions, whilst the other only inter\u00adacts with the polymeric network by way of hydrogen bonds. In the crystal, a two-dimensional polymeric array is formed; this is reinforced by O\u2014H\u22efO hydrogen bonds, which generate R 2 1(6) and R 2 2(20) loops.In the title coordination polymer, {[Na DOI: 10.1107/S1600536810000711/hb5277Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI atom is coordinated by four N atoms from two bidentate chelating phen ligands in a distorted tetra\u00adhedral geometry. The hexa\u00adtungstate anion, lying on an inversion center and possessing the well known Lindqvist structure, is formed by six edge-sharing WO6 octa\u00adhedra, thus exhibiting an approximate hO symmetry. Three kinds of O atoms exist in the hexa\u00adtungstate, viz. terminal Oa, bridging Ob and central Oc atoms. Besides the electrostatic effects between the anions and cations, weak C\u2014H\u22efO hydrogen bonds exist between the phen ligands and Oa or Ob atoms. The mean inter\u00adplanar distances of 3.485\u2005(1) and 3.344\u2005(1)\u2005\u00c5 indicate \u03c0\u2013\u03c0 stacking inter\u00adactions between neighboring phen ligands. These weak hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions lead to a two-dimensional network.The title compound, [Cu(C DOI: 10.1107/S1600536809020170/hy2197Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure no obvious hydrogen bonding is observed.The five-coordinate Sn atom in the title salt, [(CH DOI: 10.1107/S1600536809019722/tk2456Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PbII atom is chelated by acetate and substituted quinolin-8-olate anions; the O atoms of the quinolin-8-olates also bridge to confer a five-coordinate status to each metal center. The geometry approximates a distorted \u03a8-fac octa\u00adhedron in which one of the sites is occupied by a stereochemically active lone pair.The mol\u00adecule of the title compound, [Pb DOI: 10.1107/S1600536809003559/tk2365Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atom lies at the centre of a triangle formed by the coordination of three monodentate groups, viz. two thio\u00adsemicarbazide ligands and one NCS\u2212 anion. Weak inter\u00admolecular N\u2014H\u22efS inter\u00adactions generate a two-dimensional network.In the title complex, [Cu(CH DOI: 10.1107/S1600536808013068/bg2183Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both \u2013CF3 groups attached to one of the unique benzene rings are disordered over two sets of sites, with the ratios of refined occupancies being 0.719\u2005(14):0.281\u2005(14) and 0.63\u2005(5):0.37\u2005(5).The title mol\u00adecule, [Sn(C DOI: 10.1107/S1600536809019588/pk2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other 5-nitro\u00adisophthalte dianion has one carboxyl\u00adate group chelating to a metal atom whereas the other bridges two metal atoms in a \u03bc3-bridging mode. Both metal atoms show an octa\u00adhedral coordination. The polymer adopts a layer motif, with the lattice dimethyl\u00adformamide mol\u00adecules occupying the space between adjacent layers.In the polymeric title compound, [Co DOI: 10.1107/S1600536810035270/bt5344Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Ru atoms are connected into binuclear complexes via two bridging carbonyl groups, forming four-membered rings which are located on centres of inversion. The Ru\u2014Ru distance of 2.7483\u2005(11)\u2005\u00c5 corresponds to a single bond. The two carbonyl groups in these binuclear complexes are trans-oriented.In the crystal structure of the title compound, [Ru DOI: 10.1107/S1600536809026075/nc2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, one-dimensional chains are formed through inter\u00admolecular O\u2014H\u22efO hydrogen bonds, which are further linked into a two-dimensional network through Br\u22efBr inter\u00adactions [Br\u22efBr = 3.772\u2005(4)\u2005\u00c5].In the title complex, [Co(C DOI: 10.1107/S1600536808026068/lh2677Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centres are linked in an unusual triple-bridged mode into chains parallel to [101].In the title compound, [Cu(C DOI: 10.1107/S1600536809030050/pv2188Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The environment of the Sb atom approximates a trigonal-bipyramidal geometry, with the axial positions occupied by the O atoms of symmetry-related 4-(trifluoro\u00admeth\u00adyl)benzoate ligands. In this ligand, the CF3 group is disordered by rotation about the C\u2014C bond and the F atoms are distributed over two sets of sites with occupancies of 0.62\u2005(3) and 0.38\u2005(3). In the crystal, mol\u00adecules are assembled in a three-dimensional framework through weak C\u2014H\u22efO hydrogen bonds.The title complex, [Sb(C DOI: 10.1107/S1600536809017449/bh2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The BaII ion adopts an irregular BaN3O6 geometry, arising from the crown ether and three adjacent thio\u00adcyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba\u22efN inter\u00adactions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti\u00adparallel arrangement of ribbons in the unit cell.In the title compound, [Au DOI: 10.1107/S1600536809045218/hb5102Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecule has a short intra\u00admolecular contact involving an aromatic H atom (Au\u22efH = 2.64\u2005\u00c5); two adjacent mol\u00adecules are linked by an Au\u22efHylid inter\u00adaction (Au\u22efH = 3.14\u2005\u00c5).The metal atom in the title ylid\u2013gold(I) adduct, [Au(C DOI: 10.1107/S160053680904152X/ng2660Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The S atom from the other NCS\u2212 ion completes the distorted square-pyramidal coordination.In the title complex, [Cu(NCS) DOI: 10.1107/S1600536809048594/kj2135Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ru atom in this complex is best described as having a considerably distorted octa\u00adhedral coordination environment with the arene occupying three coordination sites. Two further coordination sites are occupied by chloride and bromide ligands, while the sixth site is occupied by the carbene. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C6H4C(CH3)3 arene by a CH2 bridge. This leads to a system with very little apparent strain. The two halogen atoms are disordered between Br and Cl. Two partial Cl atoms share the same sites as two partial Br atoms so that the title compound effectively has one Cl and one Br atom. C\u2014H\u22efX hydrogen bonds help to stabilize the crystal structure.A new ruthenium complex, [RuBrCl(C DOI: 10.1107/S1600536808042256/at2686Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Water mol\u00adecules that are bound in the axial position of the distorted octa\u00adhedral coordination octahedron give rise to a stereogenic center at sodium.The packing of the title compound, [Na(C DOI: 10.1107/S1600536807067736/sj2452Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the VV atoms adopts a distorted octa\u00adhedral geometry. Eight terminal O atoms are bonded to VV atoms with double bonds and the others act as bridging atoms. In the crystal structure, a network of N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds helps to establish the packing.In the title compound, (C DOI: 10.1107/S1600536810016442/hy2304Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cl atoms are disordered over two sets of sites, with relative occupancies of 0.749\u2005(7) and 0.251\u2005(7). In the crystal, the packing is consolidated by inter\u00admolecular C\u2014H\u22efO inter\u00adactions.In the title compound, [Cu(C DOI: 10.1107/S1600536809043736/hb5145Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa\u00adhedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl\u00adate group and the attached benzene ring is 8.14\u2005(11)\u00b0, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46\u2005(6)\u00b0. In the crystal structure, O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the mol\u00adecules into a three-dimensional network. \u03c0\u2013\u03c0 Contacts between the benzene and pyridine rings [centroid\u2013centroid distance = 3.751\u2005(1)\u2005\u00c5] may further stabilize the crystal structure.The asymmetric unit of the title complex, [Ni(C DOI: 10.1107/S1600536809032279/xu2589Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry of the resulting NiN2O4 coordination can be described as distorted octa\u00adhedral. Considerable C=O\u22ef\u03c0 stacking inter\u00adactions are observed between the carboxyl\u00adate C=O groups and the pyridine rings of the (pydc)2\u2212 fragments, with O\u22ef\u03c0 distances of 3.1563\u2005(12) and 3.2523\u2005(12)\u2005\u00c5 and C=O\u22ef\u03c0 angles of 95.14\u2005(8) and 94.64\u2005(8)\u00b0. In the crystal structure, a wide range of non-covalent inter\u00adactions, consisting of hydrogen bonding , ion pairing, \u03c0\u2013\u03c0 [centroid-to-centroid distance = 3.4825\u2005(8)\u2005\u00c5] and C=O\u22ef\u03c0 stacking, connect the various components to form a supra\u00admolecular structure.The reaction of nickel(II) nitrate hexa\u00adhydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C DOI: 10.1107/S1600536808016309/su2054Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810036202/wm2402Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Ni atoms are bridged by two phenolate O atoms and the intra\u00admolecular Ni\u22efNi distance is 3.0751\u2005(9)\u2005\u00c5. The crystal structure is stabilized by O\u2014H\u22efCl hydrogen bonds.In the title dinuclear nickel(II) complex, [Ni DOI: 10.1107/S1600536810016284/gk2267Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Cu(C13H16ClN2O2)Cl], exists in a distorted square-planar coordination environment as the deprotonated Schiff base chelates to the CuII atom through three atom sites. In the crystal structure, adjacent mol\u00adecules are linked by a Cu\u22efCl [3.011\u2005(1)\u2005\u00c5] bridge, generating a linear chain running along the b axis of the ortho\u00adrhom\u00adbic unit cell.The Cu DOI: 10.1107/S1600536809025215/xu2547Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is consolidated by inter\u00admolecular O\u2014H\u22efO hydrogen bonding, as well as by \u03c0\u2013\u03c0 stacking inter\u00adactions between adjacent naphthyl ring systems [centroid\u2013centroid distance between parallel naphthoate rings is 3.768\u2005(2)\u2005\u00c5].In the title mononuclear complex, [Mg(C DOI: 10.1107/S1600536808006351/ng2419Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete ligand is generated by crystallographic twofold symmetry, resulting in an infinite one-dimensional architecture along [101].In the title coordination polymer, [FeCl DOI: 10.1107/S1600536810002837/hb5310Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The atoms of the acrylate ligand are disordered over two sites, with approximate occupancies of 0.90 and 0.10. In addition, the solvent hemimethanol mol\u00adecule is disordered over two positions with equal occupancies. The crystal structure is stabilized by weak intermolecular O\u2014H\u22efO hydrogen bonds.In the title complex, [Co(C DOI: 10.1107/S1600536808032595/lh2706Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A network of N\u2014H\u22efO, N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds help to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2.In the title compound, [Y(C DOI: 10.1107/S1600536808008659/tk2260Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal centre has a distorted tetra\u00adhedral coordination formed by two N atoms from one 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. There is inter\u00admolecular \u03c0\u2013\u03c0 stacking between adjacent 2,9-dimethyl-1,10-phenanthroline ligands, with a centroid\u2013centroid distance of 3.733\u2005(2)\u00c5.In the title compound, [CuCl DOI: 10.1107/S1600536809034187/at2860Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three sulfate groups adopt both monodentate and bidentate coordination to the metal ions. Two of the sulfate groups serve as bridges in the (100) and (010) directions, yielding infinite sheets, whereas the third is pendant to one La3+ cation. The protonated organic species inter\u00adacts with the layers by way of N\u2014H\u22efO hydrogen bonds, and O\u2013H\u22efO hydrogen bonds involving aqua ligands also occur.In the title compound, {(C DOI: 10.1107/S1600536809022272/hb2997Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efN hydrogen bond occurs. In the crystal structure, weak inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions generate a chain. The crystal studied was an inversion twin.In the title complex, [Cu(C DOI: 10.1107/S1600536809020546/hb2989Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment of the LaIII ion is formed by eleven O atoms. Three bidentate nitrate anions coordinate to the LaIII ion, while two HL ligands chelate the metal center with O atoms from the phenolate and meth\u00adoxy groups. The HL ligands are zwitterionic, with protonated imine N atoms. The coordination sphere is completed by one methanol mol\u00adecule. The protonated imine N atoms are involved in intra\u00admolecular N\u2014H\u22efO hydrogen bonds with the phen\u00adoxy groups and nitrate ligands. One O atom of one nitrate group is disordered over two sites of equal occupancy.The asymmetric unit of title compound, [La(NO DOI: 10.1107/S1600536810038109/bh2313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu(C3H10N2)(H2O) units are linked via fumarate dianions into a zigzag chain running along the a axis. A longer Cu\u2014O distance [2.873\u2005(3)\u2005\u00c5] is to a water mol\u00adecule bridging equivalent CuII atoms in adjacent chains, forming a three-dimensional framework. One of the CuII atoms is in a distorted square-pyramidal environment and the other is in a pseudo-octa\u00adhedral geometry of the [5+1] type. O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds are observed in the crystal structure.The asymmetric unit of the title compound, {[Cu(C DOI: 10.1107/S1600536808000160/ci2545Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mean plane of the meth\u00adoxy group is oriented at 14.3\u2005(3)\u00b0 with respect to the benzene ring to which it is attached. In the crystal structure, weak C\u2014H\u22efO hydrogen bonds form macrocyclic rings with R 2 2(10) and R 2 2(12) motifs.In the title compound, C DOI: 10.1107/S160053681000543X/lh2991Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O\u2014Zr\u2014O bite angles of the acetonate ligands range from 75.27\u2005(5) to 75.41\u2005(5)\u00b0. The Zr atom is located on a twofold rotation axis.In the title compound, [Zr(C DOI: 10.1107/S1600536808014499/ng2456Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is isotypic with known A 2Sb4O11 structures and consists of an (Sb4O11)2\u2212 skeleton and two Rb atoms as charge-compensating cations. Distorted SbO6 octa\u00adhedra share edges and corners, resulting in a layered assembly. Alternate stacking of the layers along the c axis leads to the formation of tunnels. The Rb+ ions, surrounded by nine and ten O atoms, respectively, are located in these tunnels. Some atoms in the structure are on special positions of m symmetry and 2 symmetry (one O atom).The title compound, dirubidium tetra\u00adanti\u00admonate(V), Rb DOI: 10.1107/S1600536809016109/wm2230Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A twofold rotation axis passes through the Ni atom. N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds are present in the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536808006569/at2548Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The btmf ligands link adjoining MnII atoms into a zigzag chain along the a axis. The crystal structure is stabilized by inter\u00admolecular O\u2014H\u22efN hydrogen bonds, which link the chains, forming a two-dimensional layer parallel to (10In the title complex, [FeMn(C DOI: 10.1107/S1600536809053823/dn2521Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds build up an intricate three-dimensional network.In the title compound, [CuCl DOI: 10.1107/S1600536809046121/dn2503Isup2.hklStructure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "N\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the crystal structure of the title compound, [Cu(C DOI: 10.1107/S1600536809004577/xu2458Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Na3V2(PO4)3 belongs to the family of NASICON-related structures and is built up from isolated [VO6] octa\u00adhedra (3. symmetry) and [PO4] tetra\u00adhedra (.2 symmetry) inter\u00adlinked via corners to establish the framework anion [V2(PO4)3]3\u2212. The two independent Na+ cations are partially occupied [site-occupancy factors = 0.805\u2005(18) and 0.731\u2005(7)] and are located in channels with two different oxygen environments, viz sixfold coordination for the first tris\u00ad(orthophosphate), were grown from a self-flux in the system Na DOI: 10.1107/S1600536810002801/wm2293Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712\u2005(4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenyl\u00adene ring .The title imidazolium-based ionic-liquid salt, C DOI: 10.1107/S1600536809026324/tk2494Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The piperazinium dication lies on an inversion centre and adopts a typical chair conformation. In the crystal, a combination of N\u2014H\u22efO, N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds results in the formation of a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536809041063/su2149Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The diethyl ether ligand adopts a nearly planar W-type conformation.In the title compound, [Li(C DOI: 10.1107/S1600536809011556/dn2437Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure displays weak inter\u00admolecular N\u2014H\u22efCl hydrogen bonding.In the title compound, [PdCl DOI: 10.1107/S1600536809008472/rk2132Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion, lying on an inversion centre, is four-coordinated in a square-planar geometry by two phenolate O and two imine N atoms from two symmetry-related 2-imino\u00admethyl-5-methoxy\u00adphenolate ligands. In the crystal, mol\u00adecules are linked into corrugated layers parallel to (100) by N\u2014H\u22efO hydrogen bonds.The title compound, [Ni(C DOI: 10.1107/S1600536809039233/ci2923Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two inversion-related CdII ions are separated by 3.9920\u2005(6)\u2005\u00c5 and are bridged by two O atoms from two nitrite ligands. There are two types of \u03c0\u2013\u03c0 stacking inter\u00adactions involving symmetry-related pyrazole rings, with centroid\u2013centroid distances of 3.445\u2005(2) and 3.431\u2005(2)\u2005\u00c5.In the title centrosymmetric binuclear complex, [Cd DOI: 10.1107/S1600536809039841/lh2917Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII complex cation, with approximate twofold symmetry, displays a slightly distorted octa\u00adhedral geometry around the ZnII atom, which is coordinated by two N atoms from a 5,5\u2032-dimethyl-2,2\u2032-bipyridine ligand and by the O atoms of four water mol\u00adecules. In the crystal, O\u2014H\u22efO hydrogen bonds help to establish the packing.The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S160053680902488X/pv2173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536808023799/tk2286Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810042455/sj5040Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PdII atom displays a slightly distorted square-planar PdP2S2 geometry with a bidentately coordinated pyridin-2-ylcarbonimidodithio\u00adate ligand and two triphenyl\u00adphosphine mol\u00adecules, coordinated in cis positions. The crystal structure features weak \u03c0\u2013\u03c0 [centroid\u2013centroid distance =3.7327(15)\u2005\u00c5] and C\u2013H\u22ef\u03c0 inter\u00adactions and contains an almost spherically shaped void of 50.4\u2005\u00c53 per unit cell.The title compound, [Pd(C DOI: 10.1107/S1600536810050518/im2253Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion connects three AgI atoms through its O and two N-donor atoms. One neutral ligand functions in a monodentate mode; the other functions in a bridging mode, binding though its two N atoms. The coordination geometry of the two independent metal atoms is T-shaped; the manner of bridging gives rise to a layer motif parallel to (100). In the crystal, the nitrate ion is disordered over two positions in a 1:1 ratio, and is sandwiched between adjacent layers. O\u2014H\u22efO hydrogen bonding is present between nitrate ions and layers, and also between adjacent layers.The title coordination polymer, {[Ag DOI: Click here for additional data file.10.1107/S1600536812046090/xu5648Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The zinc atom is bonded to two N atoms belonging to triazole bridging rings and to two terminal bromide ligands, in a geometry close to tetra\u00adhedral. Weak N\u2014H\u22efBr hydrogen bonds, with the amine functions as donor groups, are observed in the crystal structure, forming a three-dimensional supra\u00admolecular network.The centrosymmetric dimeric title complex, [Zn DOI: 10.1107/S1600536811028789/bh2370Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds stabilize the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536811009056/hy2415Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex anion, the Ag+ cation is bound to two I\u2212 anions in a linear geometry. The anion was modelled assuming disorder around a crystallographic inversion centre near the location of the Ag+ cation. The crystal packing is stabilized by a strong inter\u00admolecular N\u2014H\u22efN hydrogen bond, which links the cations into zigzag chains with graph-set notation C(16) running along the face diagonal of the ac plane. The N-bound H atom is disordered over two equally occupied symmetry-equivalent sites, so that the mol\u00adecule has a pyridinium ring at one end and a pyridine ring at the other.The structure of the title compound, (C DOI: 10.1107/S1600536811047295/zl2424Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The S atom acts as a bridge to two neighbouring PbII ions, thereby forming a double thiol\u00adate chain. Moreover, the coordinating carboxyl\u00adate O atom forms bridges to the PbII ions in the adjacent chain. The overall coordination sphere of the PbII ion can be described as a highly distorted penta\u00adgonal bipyramid with a void in the equatorial plane between the long Pb\u2014S bonds probably occupied by the stereochemically active inert electron pair. The amino H atoms form N\u2014H\u22efS and N\u2014H\u22efO hydrogen bonds, resulting in a cluster of four complex units, giving rise to an R44(16) ring lying in the ab plane. The crystal structure of the title compound has been reported previously [Freeman et al. . Additional details of the hydrogen bonding are presented here.In the title coordination polymer, [Pb(C al. 1974. Chem. S DOI: 10.1107/S1600536812011877/hb6608Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecule exhibits an almost planar macrocycle with an average deviation of the 24 macrocyclic atoms from their least-squares plane (\u039424) of 0.04\u2005\u00c5 and an average Pt\u2014N bond length of 2.022\u2005\u00c5. Despite the unsymmetrical substitution pattern, there is no significant difference between distortion of the geometry at the phenyl substituted meso position and those of unsubstituted meso positions.The title compound, [Pt(C DOI: 10.1107/S1600536811026882/ya2143Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds link the components into a three-dimensional network.In the title complex, (CH DOI: 10.1107/S1600536812011439/lh5430Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CdII atom is five-coordinated by three N atoms from the HABPT ligand and two chloride ions. In the crystal, mol\u00adecules are linked via N\u2014H\u22efN, N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds into a supra\u00admolecular network.In the title compound, [CdCl DOI: 10.1107/S1600536811012517/zq2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two PPh3 ligands are in trans positions [P\u2014Pd\u2014P = 176.743\u2005(17)\u00b0], while the pyrimidinyl ligand and Br atom are trans to one another [C\u2014Pd\u2014Br = 176.56\u2005(5)\u00b0]. Structural parameters from NMR, IR and mass spectra are in agreement with the crystal structure of the title compound.In the title complex, [PdBr(C DOI: 10.1107/S1600536810038511/jh2211Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both amine N atoms are protonated. The piperazine ring adopts a chair conformation. The Cu\u2014Cl distances in the tetrahedral anion are in the range 2.2360\u2005(7)\u20132.2732\u2005(7)\u2005\u00c5. In the crystal, moderately strong and weak inter\u00admolecular N\u2014H\u22efCl hydrogen bonds link the anion and cation units into an infinite two-dimensional network parallel to the ab plane.The title compound, (C DOI: 10.1107/S1600536811024354/vn2015Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pendant diethyl\u00adamino group of the CQ ligand was found to be protonated. The complex exhibits a nearly linear coordination geometry around the AuI atom [N\u2014Au\u2014P = 176.94\u2005(6)\u00b0], with Au\u2014N and Au\u2014P bond lengths of 2.070\u2005(2) and 2.2338\u2005(7)\u2005\u00c5, respectively. The diethylammonium group and one of the two nitrate counter-ions are disordered with occupancy ratios of 0.519\u2005(4):0.481\u2005(4). The nitrate anions are hydrogen bound to both the amino and ammonium groups of the N,N-diethylpentanaminium fragment of the CQ.The title compound, [Au(C DOI: 10.1107/S1600536810031144/pv2313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The AuI ions are each coordinated in a slightly distorted linear environment, with P\u2014Au\u2014Cl angles of 177.20\u2005(4) and 178.54\u2005(4)\u00b0.The asymmetric unit of the title compound, [AuCl(C DOI: Click here for additional data file.10.1107/S1600536812049975/lh5564Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the pda anion, the dihedral angles between the pyridine ring and carboxyl\u00adate groups are 19.5\u2005(6) and 73.3\u2005(6)\u00b0. The carboxyl\u00adate groups of the pda anions bridge the Pb ions, forming a two-dimensional coordination polymer parallel to (100). Weak inter\u00admolecular C\u2014H\u22efO hydrogen boning is present in the crystal structure.In the title coordination polymer, [Pb(C DOI: 10.1107/S1600536811000419/xu5124Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In one of the cations, the three symmetry-unique O\u2014H groups are disordered over two sets of sites with refined occupancy ratios of 0.701\u2005(9):0.299\u2005(9), 0.671\u2005(8):0.329\u2005(8) and 0.566\u2005(7):0.434\u2005(7). In the anion, the ZnII ion is coordinated in a distorted tetra\u00adhedral environment by four S atoms of two chelating 1,3-di\u00adthiole-2-thione-4,5-dithiolato ligands. The dihedral angle between the mean planes [maximun deviations = 0.022\u2005(3) and 0.0656\u2005(6)\u2005\u00c5] of the two ligands is 87.76\u2005(3)\u00b0. An intamolecular O\u2014H\u22efO hydrogen bond occurs in the disordered cation. In the crystal, O\u2014H\u22efO and O\u2014H\u22efS hydrogen bonds link the components into a two-dimensional network parallel to (0-11).In the asymmetric unit of the title compound, (C DOI: 10.1107/S1600536813014992/lh5618Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Neighboring CdII ions are bridged by the benzene-1,3-dicarboxyl\u00adate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supra\u00admolecular structure through O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Cd(C DOI: 10.1107/S1600536810022117/lx2148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate group of the anion appears to be delocalized on the basis of the C\u2014O bond lengths. In the crystal, the components are linked by inter\u00admolecular N\u2014H\u22efO, N\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811033502/om2459Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033502/om2459Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62\u2005(8):0.38\u2005(8).In the centrosymmetric title compound, [Cd DOI: 10.1107/S1600536811051348/nc2254Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-mol\u00adecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a CuI atom in a terminal mode and is oriented outside the ring. The macrocycles are inter\u00adconnected into a two-dimensional network by \u03c0\u2013\u03c0 inter\u00adactions between benzimid\u00adazole groups from different rings [centroid\u2013centroid distance = 3.803\u2005(5)\u2005\u00c5.The title compound, [Cu DOI: 10.1107/S160053681200102X/im2344Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII ions are bridged by the ligands, forming a helical chain along [001]. C\u2014H\u22efN and C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the imidazole rings [centroid\u2013centroid distance = 3.4244\u2005(10)\u2005\u00c5] assemble the chains into a three-dimensional supra\u00admolecular network.In the title complex, [Zn(C DOI: 10.1107/S1600536812012706/hy2526Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging coordination mode of the ligands leads to the formation of layers parallel to (-101). N\u2014H\u22efO hydrogen-bonding inter\u00adactions within the layers and S\u22efS contacts of 3.257\u2005(3)\u2005\u00c5 between the layers lead to the cohesion of the structure.In the title compound, [Co(C DOI: Click here for additional data file.10.1107/S1600536812044431/wm2684Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In each complex dication, the NiII atom is coordinated by six N atoms from three en ligands forming a distorted octa\u00adhedral coordination geometry. In the crystal, the ions and water mol\u00adecules are linked into a three-dimensional framework by a large number of N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810027066/ci5127Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two cyclopentadienyl rings exhibit a staggered conformation, which results from the bulky bis(4-tert-butylphenyl)methyl substituents situated on opposite sides of the molecule.The molecule of the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812041360/mw2088Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecules are linked by O\u2014H\u22efO hydrogen bonds, forming a chain developing parallel to [101].In the title compound, [Zn(C DOI: 10.1107/S1600536811012244/dn2671Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII cation is N,O,O\u2032-chelated by the deprotonated Schiff base ligand and is further coordinated by a Cl\u2212 anion in a distorted ClNO2 square-planar geometry. In the crystal, adjacent mol\u00adecules are linked by N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds, forming a two-dimensional network parallel to [100].The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S160053681203574X/xu5610Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two ends of the N\u2014Si\u2014N chelating unit exhibit different affinity to the metal center. The Ti\u2014Namine bond is longer than the Ti\u2014Nanilide bond by about 0.29\u2005\u00c5. The two ligands are arranged trans to each other and the mol\u00adecule demonstrates a pseudo-twofold rotation along the axis of the Ti\u2014Cl bond. The five\u2013coordinate Ti atom demonstrates a highly distorted trigonal-bipyramidal geometry.In the monomeric title titanium(III) compound, [Ti(C DOI: 10.1107/S1600536810025092/rk2217Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two aromatic rings are almost coplanar, making a dihedral angle of 4.73\u2005(5)\u00b0. The crystal structure is stabilized by N\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into chains along the b axis.In the title compound, C DOI: 10.1107/S1600536811051944/ds2157Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051944/ds2157Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the benzene rings is 67.1\u2005(3)\u00b0. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in inter\u00admolecular N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds, forming a three-dimensional network.In the title compound, [ZnCl DOI: 10.1107/S160053681303417X/lh5676Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "Intra- and inter\u00admolecular \u03c0\u2013\u03c0 stacking is present in the crystal structure, and the centroid\u2013centroid distances between the benzene and pyridine rings of adjacent dmphen ligands are 3.492\u2005(3) and 3.592\u2005(3)\u2005\u00c5, respectively. Inter\u00admolecular C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions help to stabilize the crystal structure.In the title complex, [Pb(NO DOI: 10.1107/S1600536810022312/xu2779Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II L 3]\u22121 [tpm = tris\u00ad(1H-pyrazol-1-yl)methane and L = thio\u00adcyanate] anion yielded the methanol-solvated salt, [(tpm)2NiII][(tpm)NiII(NCS)3]2\u00b72CH3OH or [Ni(C10H10N6)2][Ni(NCS)3(C10H10N6)]2\u00b72CH3OH. The asymmetric unit consists of half a centrosymmetric bis\u00ad[tris\u00ad(1H-pyrazol-1-yl)methane]\u00adnickel(II) cation and an octa\u00adhedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol\u00adecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650\u2005(3) and 0.350\u2005(3). There are O\u2014H\u22efS inter\u00adactions between the methanol and the disordered thio\u00adcyanate anion, and a weak C\u2014H\u22efO hydrogen bond between the cation and the methanol O atom.Attempts to prepare the mononuclear [(tpm)Ni DOI: 10.1107/S1600536811045144/ng5255Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two CdII atoms are bridged by two chloride anions, forming an inversion-related Cd2Cl2 unit; these units are further linked through thio\u00adcyanate anions, leading to a chain structure extending parallel to [010]. Weak \u03c0\u2013\u03c0 stacking inter\u00adactions with centroid\u2013centroid distances of 3.430\u2005(4)\u2005\u00c5 and an inter\u00adplanar separation of 3.390\u2005(3)\u2005\u00c5 between the pyridine and benzene rings link the chains into a two-dimensional network parallel to (C DOI: 10.1107/S1600536811051373/wm2567Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PdII atom has a slightly distorted square-planar coordination sphere. The effective cone angle for the tris\u00adphos\u00adphane ligand was calculated to be 169\u00b0. In the crystal, the metal complex and solvent mol\u00adecules are linked via C\u2014H\u22efCl inter\u00adactions, generating chains along [10-2]. There are also C\u2014H\u22ef\u03c0 and weak \u03c0\u2013\u03c0 inter\u00adactions present , forming of a three-dimensional structure.In the dimeric title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812048556/su2534Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bis-chelating dimethyl\u00adglyoximate ligands, which occupy equatorial sites, are linked by strong intra\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536812000967/is5041Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoII ion is in a tetra\u00adhedral coordination geometry. The cations exhibit chair-shaped conformations. A three-dimensional supra\u00admolecular architecture is formed through N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds between the dianions and the cations.The title compound, (C DOI: 10.1107/S1600536811053128/pk2366Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuII atom, lying on an inversion center, is coordinated by two N atoms from two NCS\u2212 anions and two N atoms from two monodentate 1-phenyl-3-propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol\u00adecules occupy the axial positions with long Cu\u22efS distances [3.0495\u2005(10) and 3.1045\u2005(9)\u2005\u00c5] and complete the overall distorted octahedral coordination sphere. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds are present.The title compound, [Cu(NCS) DOI: 10.1107/S160053681203108X/hy2568Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II ion in the title mol\u00adecular salt, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by N\u2014H\u22efBr hydrogen bonds involving both the coordinating and the free bromide species as acceptors. A C\u2014H\u22efBr inter\u00adaction is also observed. Overall, a three-dimensional network results.The Cu DOI: Click here for additional data file.10.1107/S1600536812047447/hb6993Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiIII ions are coordinated by four S atoms in a square-planar geometry. The anions exhibit two packing modes, viz. stacked along the a axis in a face-to-face fashion with an alternate arrangement of anions and cations, and stacked in a side-by-side fashion, forming ribbons parallel to (011).The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811004971/rz2554Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The silver ion is surrounded by two tryptanthrin ligands, each coordinating through the N atoms, with Ag\u2014N bond lengths of 2.247\u2005(3) and 2.264\u2005(3)\u2005\u00c5, and an anionic nitrate ligand coordinating through two O atoms, with Ag\u2014O bond lengths of 2.499\u2005(3) and 2.591\u2005(3)\u2005\u00c5. The N\u2014Ag\u2014N plane and the O\u2014Ag\u2014O plane are roughly perpendicular, making a dihedral angle of 81.6\u2005(2)\u00b0. In the crystal, C\u2014H\u22efO inter\u00adactions between aromatic H atoms and keto and nitrate O atoms as well as \u03c0\u2013\u03c0 inter\u00adactions [centroid-centroid distance = 3.706\u2005(4)\u2005\u00c5] give rise to a three-dimensional network.In the crystal structure of the title compound, [Ag(NO DOI: 10.1107/S1600536812001821/rn2096Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S160053681002725X/jh2179Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the dianion, the Co2+ cation is tetra\u00adhedrally coordinated by four Cl atoms; the Co\u2014Cl bond lengths correlate with the number of hydrogen bonds that the chloride ions accept. The crystal cohesion is supported by electrostatic inter\u00adactions which, together with numerous N\u2014H\u22efCl, N\u2014H\u22ef and C\u2014H\u22efCl hydrogen bonds, lead to a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810025079/hb5513Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ge atom also lies on a 32 symmetry site and is coordinated by six F atoms. The en ligand has a twofold rotation axis passing through the mid-point of the C\u2014C bond. The F atom is disordered over two sites with equal occupancy factors. In the crystal, the [Cd(en)3]2+ cations and [GeF6]2\u2212 anions are connected through N\u2014H\u22efF hydrogen bonds, forming a three-dimensional supra\u00admolecular network.In the title compound, [Cd(C DOI: 10.1107/S160053681200983X/hy2520Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CeIII cation is coordinated by six O atoms from carboxyl groups and two O atoms from coordinated water mol\u00adecules in a distorted square-anti\u00adprismatic arrangement. Extensive O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonding occurs in the crystal structure.In the title compound, {[Ce(C DOI: 10.1107/S1600536812013402/xu5485Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal atom is surrounded by two different neutral ligands, namely dimethyl\u00adsulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Co atom lies on a crystallographic center of symmetry and the octa\u00adhedral geometry is not significantly distorted. A short O\u2014H\u22efO hydrogen bond is present between a water H atom and the ketone O atom; two longer hydrogen bonds (intra- and inter\u00admolecular) are also present between a water H and a sulfonic O atom, forming a supramolecular assembly through head-to-tail aggregation between adjacent complexes.The title complex, [Co(C DOI: 10.1107/S1600536811045296/br2180Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is the first homoleptic lanthanide complex of this amidinate ligand. The central CeIII ion is coordinated by three chelating benzamidinate anions in a distorted octa\u00adhedral fashion, with Ce\u2014N distances in the narrow range 2.482\u2005(2)\u20132.492\u2005(2)\u2005\u00c5. The dihedral angles between the phenyl rings and the chelating N\u2014C\u2014N units are in the range 73.3\u201387.9\u00b0, thus preventing conjugation between the two \u03c0-systems. The mol\u00adecule is located on a twofold rotation axis, and one of the phenyl rings is equally disordered over two alternative symmetry-equivalent positions around this axis.The title compound, [Ce(C DOI: 10.1107/S1600536810042704/zl2316Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The rather large positively charged guanazole ligand moiety promotes the low metal coordination number of 2 for the CuI atom. The compound was obtained using the electrochemical alternating-current technique starting from an ethanol\u2013methanol solution of CuSiF6\u00b74H2O and guanazole. In the crystal, N\u2014H\u22efF hydrogen bonds play an important role in the formation of a three-dimensional network. As a result of these hydrogen bonds, there are also \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.3024\u2005(14)\u2005\u00c5] involving one of the triazole groups in mol\u00adecules related by an inversion center, and short Cu\u22efN inter\u00adactions [2.909\u2005(3)\u2005\u00c5] involving an \u2013NH2 group, leading to the formation of a dimer-like arrangement.In the title compound, [Cu(C DOI: 10.1107/S160053681004225X/su2214Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thio\u00adcyanide anions bridge the CuI atoms into a chain along [100]. \u03c0\u2013\u03c0 inter\u00adactions between the pyridine and benzene rings of the isoquinoline ligands connect the chains [centroid-to-centroid distance = 3.722\u2005(3)\u2005\u00c5].In the title coordination compound, [Cu(NCS)(C For rel al. 1999; Li, Wu al. 2011; Li, Xia al. 2011.9H7N)(C18H15P)] = 0.041wR(F2) = 0.108S = 1.054313 reflections298 parametersH-atom parameters constrainedmax = 0.41 e \u00c5\u22123\u0394\u03c1min = \u22120.25 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812004837/hy2511Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit of the complex contains two independent [Zn(C10H15N3)2]2+ cations and four perchlorate anions. The ZnII atom in each complex cation is six-coordinated by two pyridine N, two imine N and two amine N atoms from two N-methyl-N\u2032-[1-(pyridin-2-yl)ethyl\u00adidene]ethane-1,2-diamine Schiff base ligands in a distorted octa\u00adhedral geometry. The pyridine rings in each of the complex cations are approximately perpendicular to each other, making dihedral angles of 88.4\u2005(3) and 87.9\u2005(3)\u00b0. The perchlorate anions are linked to the complex cations through N\u2014H\u22efO hydrogen bondsThe title mononuclear zinc(II) complex, [Zn(C DOI: 10.1107/S1600536811026079/sj5175Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Fe atom is coordinated by two carbonyl ligands, a triphenyl\u00adphosphane ligand and a bis-bidentate dithiol\u00adate ligand, and also forms an Fe\u2014Fe bond [2.5167\u2005(16)\u2005\u00c5]. Together, the six bonded atoms form a very distorted octa\u00adhedral arrangement.The title compound, [Fe DOI: 10.1107/S1600536811040621/hb6432Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyrrolidine rings adopt envelope conformation and make a dihedral angle of 51.76\u2005(19)\u00b0 with each other. The cyclopentadiene rings of the ferrocenyl moiety have an eclipsed conformation. The Br atom deviates by 0.0190\u2005(9)\u2005\u00c5 from the attached benzene ring. The mol\u00adecular structure features an intra\u00admolecular C\u2014H\u22efN inter\u00adaction, which generates an S(8) ring motif. The crystal packing features C\u2014H\u22efO inter\u00adactions, which generate R22(18) centrosymmetric dimers, as well as C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S1600536813023064/pv2643Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The tetra\u00adaza\u00adcyclo\u00adtetra\u00addecane ligand inter\u00adacts with the NiII atom in the cis V configuration and the final two ligand binding sites are occupied by water.The crystal structure of the title complex, [Ni(C DOI: 10.1107/S160053681203276X/pk2429Isup2.molSupplementary material file. DOI: 10.1107/S160053681203276X/pk2429Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure of the complex consists of an [Mn(dmf)6]2+ cation and a [Cr(NCS)5(dmf)]2\u2212 anion (dmf = dimethyl\u00adformamide). The MnII and CrIII atoms show a slightly distorted octa\u00adhedral MnO6 and CrN5O coordination geometries with adjacent angles in the range 85.29\u2005(13)\u201395.96\u2005(14)\u00b0.The title compound, [Mn(C For bac al. 1992.3H7NO)6][Cr(NCS)5(C3H7NO)] = 0.053wR(F2) = 0.100S = 0.679620 reflections463 parameters4 restraintsH-atom parameters constrainedmax = 0.85 e \u00c5\u22123\u0394\u03c1min = \u22120.57 e \u00c5\u22123\u0394\u03c1CrysAlis CCD used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536812023069/ff2065Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812023069/ff2065Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Both the Li and B atoms show a tetra\u00adhedral coordination by four equal ligands. The aceto\u00adnitrile and iso\u00adthio\u00adcyanate ligands are linear. The bond angles at the B atom are close to the ideal tetra\u00adhedral value [108.92\u2005(18)\u2013109.94\u2005(16)\u00b0], but the bond angles at the Li atom show larger deviations [106.15\u2005(17)\u2013113.70\u2005(17)\u00b0].The crystal structure of the title salt, [Li(CH DOI: Click here for additional data file.10.1107/S1600536813009082/ng5320Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The acetate O atoms, which exhibit monodentate coordination, are oriented in a trans configuration with respect to each other, whereas the pyridyl N atoms are coordinated in a cis configuration. The compound crystallizes with two crystallographically unique cations and two anions per asymmetric unit along with a disordered, partially occupied (occupancy = 0.128) aceto\u00adnitrile solvent mol\u00adecule. Crystals of the title complex were found to be twinned by pseudomerohedry with a 180\u00b0 rotation around [10-1] and a refined contribution of 90.5\u2005(3)% of the major twin component.In the title compound, [Co(C DOI: Click here for additional data file.10.1107/S1600536813011136/wm2736Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813011136/wm2736Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.4669\u2005(19) and 3.764\u2005(2)\u2005\u00c5].In the title compound, (C DOI: 10.1107/S1600536810054371/bt5430Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Partial hydrolysis led to the title compound, the hydro\u00adchloric acid adduct of the dichloride, having a penta\u00adcoordinated Sn atom with a trigonal\u2013bipyramidal C2SnCl3 core. The N atom of the 2-[(diisopropyl\u00adammonio)\u00admeth\u00adyl]phenyl ligand forms a strong intra\u00admolecular N\u2014H\u22efCl hydrogen bond, resulting in a zwitterionic species, [2-(iPr2HN+CH2)C6H4]SnBuCl3 \u2212\u00b7CH2Cl2. Disorder was found in the n-butyl group, which was refined as disordered over three positions, with site occupancies of 0.22\u2005(1), 0.51\u2005(1) and 0.27\u2005(2).The title compound, [Sn(C DOI: 10.1107/S1600536810050713/zl2332Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CrC4P2 coordination geometry at the Cr atom is distorted octa\u00adhedral, with a P\u2014Cr\u2014P bite angle of 70.27\u2005(2)\u00b0.The title compound, [Cr(C DOI: 10.1107/S1600536810043692/cv2782Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, cations and anions are linked via weak N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds. Double layers of complex anions stack along the b- axis direction, which alternate with double layers of 4-(di\u00admethyl\u00adamino)-pyridinium cations.In the anion of the title compound, (C DOI: 10.1107/S1600536813015602/vm2195Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II atom in the title compound, [Cd(C6H12NS2)2(C10H8N2)], is hexa\u00adcoordinated by two dithio\u00adcarbamate ligands and the N atoms from a bidentate 2,2\u2032-bipyridyl mol\u00adecule. The coordination geometry is based on a distorted trigonal\u2013prismatic arrangement of the N2S4 donor set. Supra\u00admolecular chains, aligned along the a-axis direction, are mediated by C\u2014H\u22efS inter\u00adactions and these are connected into layers that stack along the c axis via \u03c0\u2013\u03c0 inter\u00adactions [Cg(pyrid\u00adyl)\u22efCg(pyrid\u00adyl) = 3.6587\u2005(13)\u2005\u00c5].The Cd DOI: 10.1107/S1600536811006878/pk2304Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Nd+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti\u00adprismatic fashion by eight O atoms from bridging pyrazine N,N\u2032-dioxide ligands. There are two unique pyrazine N,N\u2032-dioxide ligands. One ring is located around an inversion center, and there is a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter\u00adact with the coordination network through C\u2014H\u22efO hydrogen bonds.The title three-dimensional coordination network, {[Nd(C DOI: 10.1107/S1600536810031818/zl2298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Nouv. J. Chim. 4, 235\u2013237] of the title compound, [V2(C4H10NO)4O3], the current study reports an improved precision of the derived geometric parameters, along with the deposition of all coordinates and displacement parameters. The two VV atoms are each surrounded by two deprotonated N,O-bidentate diethyl\u00adhydroxy\u00adlaminate groups, and a terminal and a bridging oxide ligand, in a distorted octa\u00adhedral coordination geometry. The crystal packing is accomplished by van der Waals inter\u00adactions.In comparison with the previous determination [Saussine, Mimoun, Mitschler & Fisher 1980. Nouv. J DOI: 10.1107/S1600536811020551/wm2493Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between the phen and DHB ligands [centroid\u2013centroid distances = 3.542\u2005(4) and 3.879\u2005(4)\u2005\u00c5] and between the pyridine and benzene rings of adjacent phen ligands [centroid\u2013centroid distance = 3.751\u2005(4)\u2005\u00c5] stabilize the crystal structure. Intra\u00admolecular O\u2013H\u22efO hydrogen bonds are observed in the DHB ligands.In the mononuclear title complex, [Dy(C DOI: 10.1107/S1600536810048348/hy2381Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "O\u2014H\u22efO hydrogen bonding, as well as \u03c0\u2013\u03c0 inter\u00adactions between neighbouring phenanthroline ligands, with centroid\u2013centroid distances of 3.695\u2005(1)\u2005\u00c5, lead to the construction of a three-dimensional network.The title compound, {[Mn(C DOI: 10.1107/S1600536812016819/wm2618Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812016819/wm2618Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efCl hydrogen bonds link cations and anions into chains running along the c axis. The crystal packing is further stabilized by weak C\u2014H\u22efCl and C\u2014H\u22efN inter\u00adactions.In the title salt, (C DOI: 10.1107/S1600536812017187/cv5283Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two imidazole rings are oriented to each other with a dihedral angle of 75.1\u2005(2)\u00b0. Strong O\u2014H\u22efO hydrogen bonds between protonated and deprotonated carboxyl\u00adate groups occur in the mol\u00adecular structure. In the crystal structure extensive O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds help to stabilize the three-dimensional supra\u00admolecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768\u2005(6):0.232\u2005(6) and 0.642\u2005(8):0.358\u2005(8).In the title complex, [Cd(C DOI: 10.1107/S1600536810031466/xu5001Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two CuII ions are bridged by two hydroxide anions resulting in a Cu2O2 loop, located across an inversion center and connected by the nitrate anions into a broad two-dimensional polymeric structure parallel to (100). In the crystal, there are O\u2014H\u22efO hydrogen bonds between the coodinated water mol\u00adecule and the nitrate and hydroxide, and between the hydroxide and the nitrate. Inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions are present between pyridine rings in adjacent two-dimensional structures, with a centroid\u2013centroid distance of 3.582\u2005(2)\u2005\u00c5.The title compound, [Cu DOI: 10.1107/S1600536812010355/bg2449Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010355/bg2449Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The monoclinic structure with its typical \u03b2 angle close to 90\u00b0 [90.823 (4)\u00b0] is isotypic with the mineral cryolite (Na3AlF6) and the high-temperature structure of the Na3 MCl6 series, with M = Eu\u2013Lu, Y and Sc. The isolated, almost perfect [DyCl6]3\u2212 octa\u00adhedra are inter\u00adconnected via two crystallographically different Na+ cations: while one Na+ resides on centres of symmetry (as well as Dy3+) and also builds almost perfect, isolated [NaCl6]5\u2212 octa\u00adhedra, the other Na+ is surrounded by seven chloride anions forming a distorted [NaCl7]6\u2212 trigonal prism with just one cap as close secondary contact.Single crystals of the title compound, tris\u00adodium hexa\u00adchloridodysprosate, Na DOI: 10.1107/S1600536811014498/hp2006Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is further assembled by O\u2014H\u22efO hydrogen-bond inter\u00adactions involving both the coordinated and uncoordinated water molecules. The latter exhibits half-occupancy.The title compound, [Cu DOI: 10.1107/S1600536811022756/jh2295Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The (pyridin-2-yl)methane\u00adthiol\u00adate ligand is attached to the Fe2(CO)5 unit in a \u03bc-\u03baN:\u03ba2 S mode, and the methane\u00adthiol\u00adate ligand is coordinated to the Fe2(CO)6 unit in a \u03bc-\u03ba2 S fashion.The title compound, [Fe DOI: 10.1107/S1600536811047751/tk5011Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each [WO4]2\u2212 anion bridges two adjacent [NiL]2+ cations, forming a chain along [001]. The chains are further connected via N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions, generating a three-dimensional structure.In the title compound, {[NiWO DOI: 10.1107/S1600536812034538/pv2574Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atom is coordin\u00adated by a chloride ion, two N atoms from the 1,10-phenanthroline ligand, and a monodentate carboxyl\u00adate O atom from the pinononate anion, forming a CuN2ClO approximate square plane. A symmetry-generated pinononate O atom completes a square-based pyramidal geometry for the copper ion. The bridging 2-acetate anion leads to chains in the crystal propagating in [001]. Adjacent 1,10-phenanthroline rings form a dihedral angle of 39.4\u2005(2)\u00b0.The title compound, [Cu(C Cl(C12H8N2)] = 0.036 wR(F 2) = 0.097 S = 1.03 3647 reflections265 parametersH-atom parameters constrainedmax = 0.67 e \u00c5\u22123 \u0394\u03c1min = \u22120.30 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811048586/hb6482Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1,3-bis\u00ad(imidazol-1-ylmeth\u00adyl)benzene and 2,2\u2032-dihy\u00addroxy-1,1\u2032-methyl\u00adenebis ligands con\u00adnect the ZnII ions alternately in different directions, forming a layered structure parallel to the ac plane. Topological analysis reveals that the whole structure is a network. The layers are further assembled into a three-dimensional supra\u00admolecular structure via C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Zn(C DOI: 10.1107/S1600536811054584/vm2140Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the CuII ions is coordinated in a distorted square-planar environment and the other is coordinated in a distorted square-pyramidal environment. The long apical Cu\u2014O bond of the square-pyramidal coordinated CuII ion is formed by a symmetry-related O atom, creating a one-dimensional polymer along [010]. In addition, short inter\u00admolecular Cl\u22efCl distances [3.444\u2005(2)\u2005\u00c5] and weak \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.736\u2005(2)\u20133.875\u2005(3)\u2005\u00c5] are observed. The crystal studied was an inversion twin with a refined twin component ratio of 0.60\u2005(1):0.40\u2005(1).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536812028462/lh5494Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The TiIV atom is coordinated in a distorted octa\u00adhedral geometry by four N atoms from two derivatized methanamine ligands and two N atoms from two dimethyl\u00adamide ions. The dihedral angles between the pyrrole and phenyl rings in the bidentate ligands are 62.36\u2005(9) and 78.32\u2005(8)\u00b0. In the crystal, a weak \u03c0\u2013\u03c0 stacking inter\u00adaction [centroid\u2013centroid distance = 3.864\u2005(2)\u2005\u00c5] involving centrosymmetrically related mol\u00adecules is observed.The mononuclear title complex, [Ti(C N-[(pyrrol-2-yl)methyl\u00adene]-1-phenyl\u00admethanamine, see: Brunner et al. 2(C12H11N2)2] = 0.039wR(F2) = 0.121S = 1.084578 reflections320 parametersH-atom parameters constrainedmax = 0.32 e \u00c5\u22123\u0394\u03c1min = \u22120.33 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812014365/rz2726Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the dications and perchlorate anions are linked through N\u2014H\u22efO hydrogen bonding and weak C\u2014H\u22efO hydrogen bonding into a three-dimensional supra\u00admolecular network.In the title compound, C DOI: 10.1107/S1600536811033976/xu5296Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033976/xu5296Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the tert-butyl groups are also disordered [occupancy ratios = 0.70\u2005(5):0.30\u2005(5) and 0.63\u2005(4):0.37\u2005(4)]. Although the pincer ligand offers the possibility for coordination of two different metal atoms, the present structure shows only the coordination of a single PdII atom in a typical S\u2014C\u2014S tridentate pincer manner. The PdII atom is in a slightly distorted square-planar environment with the two tert-butyl\u00adsulfanyl groups arranged in a trans con\u00adformation and with a chloride ligand trans to the \u03c3-bonded aromatic C atom. The structure exhibits a durene-like ligand frame, forming a dihedral angle of 13.6\u2005(4)\u00b0 with the metal coordination (Pd/S/S/Cl/C) environment. It is noteworthy that the tert-butyl groups are found in a syn arrangement, this being different to that found previously by Loeb, Shimizu & Wisner .The title compound, [Pd(C DOI: Click here for additional data file.10.1107/S1600536813003036/pk2463Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pyridine-2,4-dicarb\u00adoxy\u00adlic acid ligands exhibit a new coordination mode. Adjacent metal centers are linked by the O atoms of the pyridine-2,4-dicarb\u00adoxy\u00adlic acid ligands, and then form a three-dimensional supra\u00admolecular polymeric framework.In the title complex, [Ba(C DOI: 10.1107/S1600536810023457/pb2031Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The amine H atoms form both intra\u00admolecular and inter\u00admolecular N\u2014H\u22efOcarbox\u00adyl hydrogen bonds which, together with inter\u00admolecular O\u2014H\u22efOcarbox\u00adyl hydrogen bonds and N\u2014H\u22efF associations form ribbon structures along the a axis.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811023087/zs2117globalsup2.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central C\u2014O\u2014C fragment, in which the C atoms are the chiral centers, is characterized by an angle of 116.26\u2005(10)\u00b0 at the O atom. One ferrocene group shows a staggered conformation whereas the other shows an eclipsed conformation.The title complex, [Fe DOI: Click here for additional data file.10.1107/S1600536812048064/bh2465Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S160053681102890X/ng5198Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water mol\u00adecule of crystallization further links the metal complex and the crown ether macrocycles into a chain along the c axis.In the title compound, [CuBr DOI: 10.1107/S1600536810023500/jj2036Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is an intra\u00admolecular N\u2014H\u22efI hydrogen bond. In the crystal, \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.594\u2005(1)\u2005\u00c5] are observed.In the mononuclear title complex, [CuI(C I complexes, see: Santra et al. (C18H15P)2] = 0.028wR(F2) = 0.075S = 1.039368 reflections448 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.90 e \u00c5\u22123\u0394\u03c1min = \u22120.26 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 SHELXL97 Mercury I, global. DOI: 10.1107/S1600536812021010/lh5472Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The morpholine ring adopts a chair conformation.In the title complex, [CuBr(C DOI: 10.1107/S160053681002670X/hb5543Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both ZnII ions are five-coordinated by two O atoms and two N atoms from the L ligand and one O atom of an acetic acid mol\u00adecule, giving rise to a square-pyramidal geometry around the ZnII ions. The GdIII ion is nine-coordinated by four O atoms from the outer O2O2 sites of one ligand, and three O atoms from another ligand, in which there is one non-coordinating meth\u00adoxy O atom. Two further O atom from different acetate ligands complete the nine-coordinate environment.In the trinuclear title complex, di-\u03bc-acetato-1:2\u03ba DOI: Click here for additional data file.10.1107/S160053681204634X/pv2601Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ni\u2014N bond lengths range from 2.074\u2005(2) to 2.094\u2005(2)\u2005\u00c5. The dihedral angles between the three chelating NCCN groups to each other are 85.71\u2005(3), 73.75\u2005(2) and 85.71\u2005(3)\u00b0, respectively. The Ni cation, the phenyl ring of the 1,10-phenanthroline ligand and the lattice water molecule are located on special positions (site symmetry 2). In the crystal, the uncoordinated 2,4,5-tricarb\u00adoxy\u00adbenzeno\u00adate anions join with each other through O\u2014H\u22efO hydrogen bonds, forming a two-dimensional hydrogen-bonded layer structure along the bc plane. The layers are further linked via additional O\u2014H\u22efO inter\u00adactions between water and carboxyl groups, resulting in a three-dimensional supra\u00admolecular network.In the title compound, [Ni(C DOI: 10.1107/S1600536811048914/bq2318Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeII cations are connected via bridging 4,4\u2032-di\u00adpyrazine ligands into chains along the b-axis direction. The asymmetric unit consists of one FeII cation located on position with site symmetry 2/m, one thio\u00adcyanate anion located on a mirror plane and one di\u00adsulfide ligand located on a twofold rotation axis.In the title compound, [Fe(NCS) For general background to this work, see: Wriedt & N\u00e4ther 2011. For a d2(C8H6N4S2)2] = 0.051wR(F2) = 0.113S = 1.151242 reflections86 parametersH-atom parameters constrainedmax = 0.69 e \u00c5\u22123\u0394\u03c1min = \u22120.34 e \u00c5\u22123\u0394\u03c1X-AREA used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536813021958/nr2047Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two Cl\u2212 anions bridge neighboring BiIII cations, forming a zigzag polymeric chain along the a axis. The discrete methylpiperazinediium cation adopts a normal chair conformation and is linked to the polymeric chains by N\u2014H\u22efCl hydrogen bonding.In the crystal structure of the title compound, {(C DOI: 10.1107/S1600536810031417/xu5013Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chain motifs are oriented parallel to the c-axis direction. Individual chains are connected into a supra\u00admolecular network via O\u2014H\u22efO hydrogen bonding involving the aqua ligands.In the title compound, {[Cd(C DOI: 10.1107/S1600536811047842/ds2153Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anionic complex, the FeIII ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78\u2005(7)\u00b0] pyridine-2,6-dicarboxyl\u00adate ligands in a distorted octa\u00adhedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C\u2014H\u22efO inter\u00adactions, which create ten-membered hydrogen-bonded R22(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812020247/bq2350Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Weak intra\u00admolecular C\u2014H\u22efO hydrogen bonding is observed between the carbonyl group and the benzene ring. In the crystal, classical N\u2014H\u22efO hydrogen bonds and weak C\u2014H\u22efO inter\u00adactions are present.In the title compound, C DOI: 10.1107/S1600536811055140/xu5415Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536811055140/xu5415Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A symmetry-related pair of six-membered hydrogen-bonded rings [graph-set motif S11(6)] are present for the terminal vanillin\u2013imine moieties. Two lattice methanol solvent mol\u00adecules are present per formula unit (Z\u2032 = 1/2), which form hydrogen-bonded chains along [010] with two orientations due to disorder of the methanol H-atom.The title compound, C DOI: 10.1107/S1600536812034940/hg5235Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CdII ion is coordinated by three water O atoms and three carboxyl\u00adate O atoms of two different 5-hy\u00addroxy\u00adisophthalate ligands, which act as bidentate and monodentate ligands. The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds.The title compound, [Cd(C DOI: 10.1107/S160053681104236X/bt5673Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII ion displays a distorted tetra\u00adhedral coordination environment with four S atoms from two S,S\u2032-chelated N-(trifluoro\u00admethyl\u00adsulfonyl\u00ad)dithio\u00adcarbimate anions. In the crystal, besides the ionic inter\u00adaction of the oppositely charged ions, inter\u00admolecular C\u2014H\u22efO inter\u00adactions between cations and anions are observed. One of the cations inter\u00adacts with an inversion-related equivalent by \u03c0\u2013\u03c0 stacking between phenyl rings, with a centroid\u2013centroid distance of 3.932\u2005(4)\u2005\u00c5.The title salt, (C DOI: 10.1107/S160053681105207X/pk2371Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053681103306X/gw2107Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atom is penta\u00adcoordinated by four \u03bc2-Cl atoms and one terminal Cl atom in a trigonal\u2013bipyramidal geometry. The trigonal\u2013bipyramidal units are linked by two opposite shared faces, giving rise to infinite [CdCl3]n chains parallel to the a axis. The cations surround the chain and are linked to them by S\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds, forming a three-dimensional network.The title compound, {(C DOI: 10.1107/S1600536811050513/ng5241Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure shows a \u03bc2-O:O\u2032-bridging mode of the four 3,4,5-tri\u00admeth\u00adoxy\u00adbenzoate ligands finally stabilizing the two ZnII atoms in the dinuclear complex in a distorted square-pyramidal environment. The fifth coord\u00adin\u00adation site in the apical position of the pyramid is occupied by a coordinating dimethyl sulfoxide solvent mol\u00adecule equally disordered over two positions.The colourless title complex, [Zn DOI: 10.1107/S1600536813023118/kj2227Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813023118/kj2227Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br\u2212 atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br\u2212 anions (site symmetry The Cu DOI: 10.1107/S1600536811051117/hb6533Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure exhibits hydrogen bonding between the two dimethyl\u00adpyrazole H atoms and two F atoms of one hexa\u00adfluorido\u00adanti\u00admonate anion. Three relatively short Ag\u22efF contacts exist between the cation and three different SbF6 \u2212 anions. The crystal used for data collection was found to be twinned by non-merohedry, with the two components being related by a 180\u00b0 rotation around the real or reciprocal a axis. Integration resulted in 11.2% of the total peaks being assigned to component 1, 11.2% to component 2, and 77.6% to both components.The title compound, [Ag(C DOI: 10.1107/S1600536811010567/fj2400Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 2 Enhanced figure:"} {"text": "A second iodide ligand, situated in the apical position, completes the coordination geometry. In the crystal structure, C\u2014H\u22efO hydrogen bonds link a pair of mol\u00adecules around an inversion centre into a dimer.In the title compound, [ZnI DOI: 10.1107/S1600536811014656/hy2422Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3\u2005(2) and 53.5\u2005(2)\u00b0, respectively. The two Zr\u2014O\u2014Zr bridge angles are nearly linear and form a planar Zr3O2 core. The mol\u00adecule bears C2 symmetry with the central Zr atom lying on a crystallographic twofold axis.The title compound, [Zr DOI: 10.1107/S1600536812024968/pk2418Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligands bridge the ZnII atoms, leading to the formation of a two-dimensional network parallel to (010). The structure is further stabilized by C\u2014H\u22efN, C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 [centroid\u2013centroid distance = 3.7523\u2005(11)\u2005\u00c5] inter\u00adactions within the network.In the title compound, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812050672/zq2192Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812050672/zq2192Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging carbonyl C\u2014C(=O)\u2014C plane makes a dihedral angle of 54.32\u2005(5)\u00b0 with the naphthalene ring system and 21.45\u2005(6)\u00b0 with the phenyl ring. An inter\u00admolecular C\u2014H\u22efO hydrogen bond exists between the H atom of one meth\u00adoxy group and the O atom of the second meth\u00adoxy group in an adjacent mol\u00adecule. The crystal packing is additionally stabilized by a weak C\u2014H\u22efO inter\u00admolecular inter\u00adaction between an H atom of the naphthalene ring and the O atom of the carbonyl group.In the title compound, C DOI: 10.1107/S1600536811005630/fk2037Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmmetric unit comprises one Cu+ cation, one I\u2212 anion and one phen ligand. Each Cu+ cation is in a distorted tetrahedral coordination by two iodide anions and two N atoms from a bidentate chelating phen ligand. The Cu+ cations are bridged through the iodide anions, leading to a zigzag chain structure extending parallel to [100]. There are \u03c0\u2013\u03c0 inter\u00adactions among adjacent phen ligands of one chain [centroid\u2013centroid distance = 3.693\u2005(3)\u2005\u00c5].The solvothermal reaction of copper(I) iodide and 1,10-phenanthroline (phen) in ethanol yielded the title polymeric compound, [CuI(C DOI: 10.1107/S1600536810043205/kp2280Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyrrolidine ring is almost perpendicular to the indeno\u00adquinoxaline ring system, making a dihedral angle of 84.44\u2005(5)\u00b0. The cyclo\u00adpenta\u00addienyl rings of the ferrocene moiety adopt an eclipsed conformation. The crystal packing features weak C\u2014H\u22efN and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812048349/bt6861Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812048349/bt6861Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV ion is coordinated by two N atoms [Sn\u2014N = 2.266\u2005(2) and 2.274\u2005(2)\u2005\u00c5] from the bis\u00ad(2-pyrid\u00adyl)selenide ligand and four chloride anions [Sn\u2014Cl = 2.3717\u2005(6)\u20132.3939\u2005(6)\u2005\u00c5] in a distorted octa\u00adhedral geometry. The central six-membered chelate ring has a boat conformation with the Se and Sn atoms deviating by 0.692\u2005(3) and 0.855\u2005(3)\u2005\u00c5, respectively, from the mean plane through the remaining four ring atoms. The pyridine rings are inclined to each other by a dihedral angle of 49.62\u2005(8)\u00b0. The crystal packing exhibits short inter\u00admolecular Se\u22efCl contacts [3.5417\u2005(7) and 3.5648\u2005(7)\u2005\u00c5], weak C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings with a centroid\u2013centroid distance of 3.683\u2005(3)\u2005\u00c5.The title compound, [SnCl DOI: 10.1107/S160053681202586X/cv5309Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two planes are aligned at an angle of 59.6\u2005(1)\u00b0. The Cl atoms occupy cis positions in the octa\u00adhedral SnCl2O4 coordination environment. The solvent mol\u00adecule is disordered about a center of inversion.The two Sn\u2014O\u2014C\u2014C\u2014C\u2014O chelate rings in the title compound, [Sn(C DOI: 10.1107/S1600536810028084/bt5299Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cobalt(II) cation is coordinated by two terminal N-bonded thio\u00adcyanate anions and two N-bonded 1,3-bis\u00ad(pyridin-4-yl)propane ligands, as well as two O atoms of methanol mol\u00adecules in a slightly distorted octa\u00adhedral coordination mode. Adjacent cations are connected into chains parallel to [10The asymmetric unit of the title compound, [Co(NCS) DOI: 10.1107/S1600536812000499/wm2581Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The slightly distorted octa\u00adhedral coordination environment of the two FeII ions is completed by two monodentate aqua ligands and two thio\u00adcyanate ligands. One of the 1,4-bis\u00adbenzene mol\u00adecules lies across an inversion center. In the crystal, O\u2014H\u22efN hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, \u03c0\u2013\u03c0 stacking inter\u00adactions involving the benzene and triazole rings, with centroid\u2013centroid distances in the range 3.502\u2005(5)\u20143.787\u2005(6)\u2005\u00c5, connect the two-dimensional hydrogen-bonded network into a three-dimensional network. In the title compound, [Fe DOI: 10.1107/S1600536812026141/lh5483Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII ion adopts a distorted square-pyramidal ZnN2O3 coordination. The bridging mode of the dianion leads to the formation of zigzag chains parallel to [010]. Intermolecular \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance of 3.5716\u2005(12)\u2005\u00c5] lead to the formation of a two-dimensional network parallel to (001).The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536812024610/bg2464Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII atom in the monoanion has a distorted triganol\u2013pyramidal geometry, being coordinated by three O atoms and one N atom from one 2-{3-[2-(carboxyl\u00adato\u00admeth\u00adoxy)phen\u00adyl]pyrazol-1-yl}acetate ligand and one Cl atom. In the dication, the ZnII atom is located on an inversion center and is coordinated by six O atoms in a slightly distorted octa\u00adhedral geometry. In the crystal, the ions are linked by O\u2014H\u22efO hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also C\u2014H\u22efO and C\u2014H\u22efCl inter\u00adactions present, which lead to the formation of a three-dimensional structure.The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536812023045/su2397Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligands link the CoII ions into a linear chain running along [201]. One O atom of the nitrate ligand is disordered over two positions with site-occupancy factors of 0.59\u2005(4) and 0.41\u2005(4).In the title compound, [Co(NO DOI: 10.1107/S1600536811018630/ng5160Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are significant differences in the chemically equivalent Cd\u2014O bond lengths [2.618\u2005(2)\u2005\u00c5 and 2.561\u2005(2)\u2005\u00c5].In the title compound, [Cd(C DOI: 10.1107/S1600536811038712/lh5332Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4-eth\u00adoxy\u00adbenzoyl groups at the peri positions of the naphthalene ring system are disordered over two sets of sites with occupancies of 0.769\u2005(4) and 0.231\u2005(4). They are directed in opposite directions from the naphthalene plane (anti orientation). For the major component, the dihedral angle between the aroyl benzene ring and the naphthalene ring system is 75.62\u2005(13)\u00b0 [minor component 75.5\u2005(4)\u00b0], and that between the aroyl benzene rings is 32.58\u2005(15)\u00b0. In the crystal, mol\u00adecules are linked via C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions, forming a three-dimensional network.The title mol\u00adecule, C DOI: Click here for additional data file.10.1107/S1600536813008581/gk2562Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813008581/gk2562Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoII ions are six-coordinated in a slightly distorted octa\u00adhedral geometry and exhibit two types of coordination environments. One CoII ion, located on an inversion center, is coordinated by two water O atoms as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl\u00adate ligands. The other CoII ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl\u00adate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl\u00adate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N\u2014H\u22efO, O\u2014H\u22efO, and C\u2014H\u22efO hydrogen-bonding inter\u00adactions between the water mol\u00adecules and the imidazole-4,5-dicarboxyl\u00adate ligands.In the title compound, {[Co DOI: 10.1107/S1600536811045764/pv2457Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Furthermore, the O=C\u2014C=C\u2014N mean plane and the O=C\u2014O(ester) plane make a dihedral angle of 55.5\u2005(6)\u00b0. Consistent with this large dihedral angle, the linking C\u2014C bond [1.507\u2005(6)\u2005\u00c5] does not show any double-bond character.In the title compound, [Fe(C DOI: 10.1107/S1600536811047763/fj2460Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate group of the POPA anion displays a bis-monodentate mode, linking pairs of CoII ions into a chain parallel to [001]. Adjacent chains are connected in a perpendicular manner through 4,4\u2032-bipy ligands into layers parallel to (100). The 4,4\u2032-bipy ligand is likewise located on a twofold rotation axis, with a dihedral angle between the two pyridine rings of 57.05\u2005(7)\u00b0. C\u2014H\u22efO hydrogen-bonding inter\u00adactions are present within the layers. \u03c0\u2013\u03c0 stacking inter\u00adactions between the POPA benzene rings of neighbouring layers [centroid-to-centroid distance = 3.976\u2005(3)\u2005\u00c5 and plane-to-plane distance = 3.618\u2005(3)\u2005\u00c5] stabilize the packing of the structure.In the polymeric title compound, [Co(C DOI: 10.1107/S1600536811042875/wm2537Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by O\u2014H\u22efO hydrogen bonds involving carboxyl groups, forming one-dimensional ladders. Two-dimensional layers are formed by inter\u00adpenetration of these one-dimensional ladders.In the title compound, C DOI: 10.1107/S1600536812012275/bq2343Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812012275/bq2343Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two further weak intra\u00admolecular Sn\u22efO contacts [2.744\u2005(2) and 2.655\u2005(2)\u2005\u00c5] are formed by the chloro\u00adacetato ligands.In the title complex, [Sn(C DOI: 10.1107/S1600536811028649/lh5269Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It has two chiral centers which both exhibit an R configuration. Two ferrocene groups are present in the mol\u00adecular structure, with their cyclo\u00adpenta\u00addienyl ring planes showing an almost perpen\u00addicular arrangement [dihedral angle 88.6\u2005(1)\u00b0].The title compound, [Fe DOI: 10.1107/S1600536810024293/im2210Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This study concerns a structural redetermination using single-crystal X-ray diffraction data, collected at the low temperature of 180\u2005K, of a recently investigated material whose structural details have been proposed from powder X-ray diffraction studies . The main difference between the two models rests on the position of the H atoms. While two H atoms were modeled as attached to the same phospho\u00adnate group in the powder determination, in the current model, the same H atoms are instead distributed among two of these groups. The sample studied was an inversion twin.The asymmetric unit of the title compound, poly[(\u03bc al. 2011. J. Am. DOI: 10.1107/S1600536812005508/gk2450Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812005508/gk2450Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The plane of the pyridine ring forms a dihedral angle of 16.2\u2005(2)\u00b0 with the essentially planar (r.m.s. deviation = 0.006\u2005\u00c5) imidazopyrazine system. In the crystal, mol\u00adecules are linked by weak C\u2014H\u22efN inter\u00adactions.The structure of the title compound, C DOI: 10.1107/S1600536810022993/hb5478Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag\u22efAg separation within the macrocycle is 5.4400\u2005(6)\u2005\u00c5. The distorted tetra\u00adhedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis\u00ad(diphenyl\u00adphosphan\u00adyl)propane ligands, forming polymeric ribbons parallel to the a axis.In the title coordination polymer, [Ag For rel al. 2010; Cui, Ji al. 2010; Mu et a al. 2010; Affandi al. 1997. 2(NCS)2(C27H26P2)2] = 0.038 wR(F 2) = 0.079 S = 1.03 4605 reflections298 parametersH-atom parameters constrainedmax = 0.44 e \u00c5\u22123 \u0394\u03c1min = \u22120.50 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811041250/rz2645Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cations, the morpholine rings are in a chair conformation. In the crystal, ions are linked by weak C\u2014H\u22efF hydrogen bonds into a three-dimensional network.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536812001006/rz2692Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the 1-benzyl-3-methyl\u00adimidazolium units, the dihedral angles between imidazolium and phenyl rings are 80.47\u2005(15) and 76.53\u2005(14)\u00b0. The F atoms of the general-position hexa\u00adfluoro\u00adphosphate anion are disordered over two sets of sites in a 0.767\u2005(17):0.233\u2005(17) ratio. In the crystal, the hexa\u00adfluoro\u00adphosphate anions link the cations into three-dimensional networks via inter\u00admolecular C\u2014H\u22efF hydrogen bonds and are further consolidated by \u03c0\u2013\u03c0 stacking [centroid\u2013centroid distances = 3.5518\u2005(15)\u2005\u00c5] inter\u00adactions.In the title compound, K[Ag(C DOI: 10.1107/S1600536810051925/hb5767Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One CdII atom is coordinated by four Cl atoms and two O atoms from two morpholinium ligands, while the other is coordinated by six Cl atoms. Adjacent CdII atoms are inter\u00adconnected alternately by paired chloride bridges, generating a chain parallel to the a axis. Inter\u00adchain N\u2014H\u22efCl inter\u00adactions form a two-dimensional network.In the title compound, [Cd DOI: 10.1107/S160053681102914X/jh2310Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, adjacent mol\u00adecules are linked together via N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds, forming infinite layers parallel to the ab plane. The layers are further connected through C\u2014H\u22efCl inter\u00adactions into a three-dimensional network.In the title compound, [CdCl DOI: 10.1107/S1600536810032563/pv2318Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both the bdc species in the asymmetric unit are completed by crystallographic inversion symmetry. The bridging bdc dianions link the cadmium nodes into a recta\u00adngular grid lying parallel to (01In the title layered coordination polymer, {[Cd(C DOI: 10.1107/S160053681004328X/hb5699Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings [centroid\u2013centroid distance = 3.745\u2005(3)\u2005\u00c5] are present in the crystal.In the title compound, [CoCl DOI: Click here for additional data file.10.1107/S1600536812041116/hy2591Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The benzene mol\u00adecule lies about a threefold rotoinversion axis.In the title compound, [Sn(C DOI: 10.1107/S1600536811055474/is5011Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Yb3+ ion has a distorted square-anti\u00adprismatic coordination formed by one aqua ligand, two O atoms from an oxalate ligand and five O atoms belonging to four terephthalate anions. Two symmetry-independent terephthalate anions, as well as the oxalate anion, occupy special positions on inversion centers. The water molecule participates in O\u2014H\u22efO hydrogen bonding with both terephthalate anions.The crystal structure of the title complex, [Yb DOI: 10.1107/S1600536810033052/ya2126Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, molecules are linked via pairs of O\u2014H\u22efO hydrogen bonds, forming inversion dimers.In the title compound, C DOI: 10.1107/S1600536811052275/fj2486Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811052275/fj2486Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting supra\u00admolecular chain is a 31 helix along the c axis. These chains are linked via inter\u00admolecular Pb\u22efO,N inter\u00adactions, as well as O\u2014H\u22efO hydrogen bonds.The Pb atom in the polymeric title compound, {[Pb(C DOI: 10.1107/S1600536811043078/su2329Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the structure, the AlIII and SnIV atoms occupy the same site on a threefold rotation axis with occupational disorder in a 1:1 ratio. In the three-dimensional structure, Al/SnO6 octa\u00adhedra and PO4 tetra\u00adhedra are inter\u00adconnected via their vertices, yielding a [Al/SnP3O12]n framework. The K atoms (site symmetry 3) reside in the large cavities delimited by the [Al/SnP3O12]n framework, and are surrounded by 12 O atoms.Single crystals of the title compound, dipotassium aluminium tin(IV) tris\u00ad[phosphate(V)], K DOI: 10.1107/S1600536811037263/fi2112Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging function of the Br atoms leads to a chain structure along [100]. Inter\u00adchain C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 contacts between the thia\u00adzole rings [centroid\u2013centroid distances = 3.810\u2005(5) and 3.679\u2005(5)\u2005\u00c5] are observed.In the title coordination polymer, [CdBr DOI: 10.1107/S1600536811020861/hy2437Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure of the complex mol\u00adecule consists of four approximately planar fragments: two 3-(3-hy\u00addroxyphenyl)propenoate residues and two 2,2\u2032-bipyridine ligands [largest deviation from the least-squares planes is 0.240\u2005(1)\u2005\u00c5 for one of 3-(3-hy\u00addroxy\u00adphenyl)propenoate residues]. The dihedral angles formed by the least-squares planes of the 2,2\u2032-bipyridine ligands and the opposite 3-(3-hy\u00addroxyphenyl)propenoate residues are 22.68\u2005(7) and 26.47\u2005(6)\u00b0. The CdN4O4 coordination polyhedron can be described as distorted dodecahedral. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds between carboxyl\u00adate O atoms and hy\u00addroxy groups lead to the formation of chains along the a-axis direction.The title compound, [Cd(C DOI: 10.1107/S1600536811050847/yk2032Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Cu2+ cation is coordinated by two pyridine N atoms from symmetry-related 4,4;6,6-bis\u00ad-2,2-bis\u00ad{2-phen\u00adoxy}cyclo\u00adtriphosphazene (L) ligands, a pair of bridging Cl\u2212 anions and a terminal Cl\u2212 anion, forming a distorted CuCl3N2 square-pyramidal geometry. Weak intra\u00admolecular C\u2014H\u22efO and inter\u00admolecular C\u2014H\u22efN inter\u00adactions occur in the crystal.In the crystal of the title compound, [Cu DOI: 10.1107/S1600536812016285/xu5503Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit also contains one di\u00adchloro\u00admethane solvent mol\u00adecule. The unique meth\u00adoxy-substituted benzene rings form dihedral angles of 59.38\u2005(6) and 66.77\u2005(6)\u00b0 with the mean plane (r.m.s. deviation of fitted atoms = 0.0282\u2005\u00c5) of the atoms in the porphyrin core. The packing is characterized by close contacts between the ZnII ion and two symmetry-related mol\u00adecules through the O atoms of a meth\u00adoxy\u00adphenyl group [Zn\u22efO = 2.694\u2005(2)\u2005\u00c5], forming a two-dimensional network parallel to (100).In the title compound, [Zn(C DOI: 10.1107/S1600536813019338/lh5631Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the mononuclear species, the carbodithio\u00adate ligand is unsymmetrically coordinated to the SnIV atom, with Sn\u2014S distances of 2.6722\u2005(12) and 2.4706\u2005(11)\u2005\u00c5. All atoms with the exception of the methyl groups and one of the pyrrolidine ring CH2 groups lie on a crystallographic mirror plane. The pyrrolidine ring exhibits an envelope conformation; the C atom at the flap is disordered above and below the plane of symmetry with fixed occupation factors of 0.50. The centrosymmetric dimer species consists of a central Sn2O2 unit with two adjacent Sn2OCl four-membered rings.In the title co-crystal, [Sn DOI: 10.1107/S1600536812017485/lr2051Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: interactive version of Fig. 1Enhanced figure:"} {"text": "Two SbF6 \u2212 anions are positioned on opposite sides of the plane through the CuN2O2 unit, generating an axially distorted CuN2O2F2 octa\u00adhedral geometry for the metal ion.In the title compound, [Cu(C DOI: 10.1107/S1600536810048658/hb5747Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the complex cation of the title compound, [PdCl(C21H16N4)]Cl, is coordinated by three N atoms derived from the terpyridine ligand and a chloride ion, which define a distorted PdClN3 square-planar coordination geometry. In the crystal, the presence of N\u2014H\u22efCl hydrogen bonds involving the amino H atom and chloride anions link two cations and two anions into a four-ion aggregate via centrosymmetric eight-membered [\u22efH\u2014N\u2014H\u22efCl]2 synthons. Layers of cations are inter\u00adspersed with the chloride anions with stabilization provided by C\u2014H\u22efCl inter\u00adactions involving both Cl atoms, as well as \u03c0\u2013\u03c0 inter\u00adactions [the closest inter\u00adaction of 3.489\u2005(6)\u2005\u00c5 occurs between a chelate ring and a pyridyl residue].The Pd DOI: 10.1107/S1600536811018125/hb5880Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion bridges two symmetry-related Sn(IV) ions and the resulting polymeric chains are parallel to [201] in the crystal. Et3NH+ cations are inserted between the chains. The coordination of the Sn(IV) atom is completed by three phenyl ligands, giving a distorted trigonal\u2013bipyramidal geometry.The title compound, {(C DOI: 10.1107/S1600536810052402/bh2324Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In each, the W atom is coordinated by five CO groups and the S atom of the benzencarbothioamide ligand in a distorted octa\u00adhedral geometry. The crystal packing can be described as undulating layers of W(CO)5 and benzene\u00adcarbothio\u00adamide parallel to (001). In the crystal, components are linked via inter\u00admolecular N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds to form a dimeric chains along the [010] direction. Intra\u00admolecular N\u2014H\u22efC inter\u00adactions are also observed.The asymmetric unit of the title complex, [W(C DOI: 10.1107/S1600536811008579/zk2003Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings [centroid\u2013centroid distance = 3.763\u2005(5)\u2005\u00c5] are present.In the title compound, [CdBr DOI: 10.1107/S1600536812033648/hy2576Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two coordination sites are occupied by a P,S-chelating 2-(diphenyl\u00adphosphan\u00adyl)benzene\u00adthiol\u00adate ligand and the other two by a P atom from a triphenyl\u00adphosphine ligand and an S atom from a pyridine-2-thiol\u00adate ligand, exhibiting a trans arrangement of the two P-donor atoms. In the crystal structure, weak intra- and inter\u00admolecular C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 inter\u00adactions are observed. The pyridyl ring is equally disordered over two positions.In the title compound, [Pd(C DOI: 10.1107/S160053681003357X/hy2339Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As expected, the complexes from the corresponding l and d isomers of valine crystallize in enanti\u00adomorphic space groups . In the crystal, N\u2014H\u22efO and N\u2014H\u22efF hydrogen bonding is observed, the N\u2014H to carbonyl oxygen hydrogen bond producing a helical motif that proceeds along the 41 screw of the c axis.The title compound, [Ir(C H(C3H9P)3]PF6\u00b70.675CH2Cl2 = 0.031wR(F2) = 0.046S = 0.819371 reflections301 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.70 e \u00c5\u22123\u0394\u03c1min = \u22120.61 e \u00c5\u22123\u0394\u03c1I+)\u2212(I\u2212)]/[(I+)+(I\u2212)] CrysAlis PRO used to solve structure: SHELXS97 I. DOI: 10.1107/S1600536814002165/pk2516Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814002165/pk2516Isup3.molSupporting information file. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the crystal, the components are linked by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R22(8) loops. These, together with \u03c0\u2013\u03c0 inter\u00adactions between centrosymmetrically related pyrimidinium cations [centroid\u2013centroid separation = 3.5460\u2005(8)\u2005\u00c5], lead to the formation of a three-dimensional network.In the title hydrated mixed-cation salt, (C DOI: Click here for additional data file.10.1107/S1600536813002146/hb7029Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging function of the cis ligands leads to a helical chain structure along [100].In the title coordination polymer, [HgBr DOI: 10.1107/S1600536811028066/hg5063Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging Mn2O2 group is built of phen\u00adoxy groups, and is asymmetric, with an Mn\u2014O distances of 1.9002\u2005(13) and 2.6236\u2005(14)\u2005\u00c5. A substantial cavity between the two Mn atoms [Mn\u22efMn = 3.5082\u2005(4)\u2005\u00c5] is produced by the formation of the dimer. In the crystal, an extended network of O\u2014H\u22efO hydrogen-bonding inter\u00adactions stabil\u00adizes the structure.The molecules of the title compound, [Mn(C DOI: 10.1107/S1600536811026584/om2428Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811046022/hy2482Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title salt, [Zn(C5H5N3O2)2(H2O)2](NO3)2, is N,O-chelated by a zwitterionic amino\u00adpyraziniocarboxyl\u00adate unit; the metal atom, which lies on a center of inversion, shows an octa\u00adhedral coordination. The nitrate ion inter\u00adacts indirectly, through N\u2014H\u22efO hydrogen bonds. In the crystal, adjacent cations and anions are connected by O\u2014H\u22efO hydrogen bonds into a three-dimensional network motif. The crystal studied was a non-merohedral twin with two minor components of 15.1\u2005(1) and 8.0\u2005(1)%.The water-coordinated Zn DOI: 10.1107/S1600536810042509/nk2064Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The LaIII ions are linked by bridging carboxyl\u00adate groups and chloride anions into a chain along [100]. An intra\u00admolecular O\u2014H\u22efO hydrogen bond is formed in the 5-bromo\u00adsalicylate ligand. \u03c0\u2013\u03c0 inter\u00adactions between the pyridine and benzene rings and between the benzene rings are observed [centroid\u2013centroid distances = 3.794\u2005(5) and 3.804\u2005(4)\u2005\u00c5].In the title complex, [La(C Cl2(C12H8N2)] = 0.034wR(F2) = 0.125S = 1.003598 reflections254 parametersH-atom parameters constrainedmax = 1.20 e \u00c5\u22123\u0394\u03c1min = \u22121.34 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812025500/hy2550Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Four O-coordinated cationic (di\u00admethyl\u00adphosphor\u00adyl)methanaminium (dpmaH+) ligands occupy the equatorial coordination sites, whereas the chloride ligands occupy axial positions of the roughly o\u00adcta\u00adhedral coordination polyhedron of the cobalt metal center. Intra\u00admolecular hydrogen bonds between the aminium groups and the O atom of the phosphoryl groups and additional hydrogen bonds between the aminium groups and the chloride ligands are present. Furthermore, four of the six H atoms not involved in intra\u00admolecular bonding of each cobalt(II) tetra\u00adcation form weak hydrogen bonds to four adjacent tetra\u00adchloridocobaltate(II) counter-anions. By these inter\u00admolecular hydrogen bonds, one-dimensional polymeric strands are formed along the b-axis direction. The hydrogen bonding is analyzed using the graph-set method and the structural similarity with dpmaHCl is discussed.The asymmetric unit of the title structure, [CoCl DOI: Click here for additional data file.10.1107/S1600536813008945/sj5313Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atom is located on an inversion centre and has an overall octa\u00adhedral coordination environment. Two N and two O atoms from (pyzdc)2\u2212 ligands define the equatorial plane and two water mol\u00adecules are in axial positions, resulting in a typical tetra\u00adgonally Jahn\u2013Teller-distorted environment. Extensive classical O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO and non-classical C\u2014H\u22efO hydrogen bonds, as well as \u03c0\u2013\u03c0 stacking inter\u00adactions between aromatic rings of the cations [centroid\u2013centroid distance = 3.58\u2005(9)\u2005\u00c5], lead to the formation of a three-dimensional supra\u00admolecular structure.The title compound, (C DOI: 10.1107/S1600536811008981/wm2462Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzimidazole rings in adjacent mol\u00adecules are parallel, with an average inter\u00adplanar distance of 3.486\u2005\u00c5. The I atom is disordered over two sites in a 0.85\u2005(5):0.15\u2005(5) ratio.In the title complex, [CdI DOI: 10.1107/S1600536811029321/wm2505Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII ion exhibits a centrosymmetric octa\u00adhedral geometry involving two carboxyl\u00adate O atoms of two different pztmb ligands and four O atoms of four coordinated water mol\u00adecules. The packing shows a three-dimensional supra\u00admolecular network via O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.884\u2005(8) and 4.034\u2005(8)\u2005\u00c5] between the benzene ring of one pztmb anion and the pyrazine ring of an adjacent anion.The title compound, [Mn(C DOI: 10.1107/S160053681004506X/pk2282Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The full dimer is generated by an inversion center. In the dimer, the two IrIII atoms and two bridging Cl atoms form a perfectly planar ring. The two IrIII atoms and the two terminal Cl atoms also form a rigorous plane that is orthogonal [89.48\u2005(3)\u00b0] to the Ir2Cl2 ring. The plane of the cyclo\u00adpenta\u00addienyl ligand forms a dihedral angle of 54.06\u2005(7)\u00b0 with respect to the Ir2Cl2 ring.The asymmetric unit of the title complex, [Ir For the al. 2011.2Cl4(C12H19)2] = 0.019wR(F2) = 0.040S = 1.064440 reflections141 parametersH-atom parameters constrainedmax = 1.02 e \u00c5\u22123\u0394\u03c1min = \u22121.18 e \u00c5\u22123\u0394\u03c1CrysAlis PRO used to solve structure: SHELXS97 I, global. DOI: Click here for additional data file.10.1107/S1600536813005072/pk2466Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813005072/pk2466Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal atoms are surrounded by eight O atoms in a square-anti\u00adprismatic environment. There are two independent formula units in the asymmetric unit. The S atoms of two of the four DMSO mol\u00adecules are disordered in a 0.926\u2005(3):0.074\u2005(3) ratio.The polymeric title compound, [Ce(C DOI: 10.1107/S1600536811015947/hg5026Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "For one zinc atom, the acetate group is monodentate, and the geometry is a distorted ZnN4O trigonal bipyramid; for the other, the acetate group is anisobidentate and the geometry is a distorted ZnN4O2 octa\u00adhedron. The two macrocycle\u2013zinc acetate units are bridged through a diperchloratosodium unit. In the crystal, the complex cations and uncoordinated perchlorate anions are linked by N\u2014H\u22efO hydrogen bonds.In the title salt, [NaZn DOI: 10.1107/S1600536811045363/xu5351Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate O atom of one of them also bridges to another Li+ ion, while the second O atom of this group is bonded to another Li+ ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li+ ions show distorted trigonal\u2013bipyramidal LiNO4 coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O\u2014H\u22efO hydrogen bonds, which occur between water mol\u00adecules as donors and carboxyl\u00adate O atoms as acceptors.In the title coordination polymer, [Li DOI: 10.1107/S1600536810050762/hb5759Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Si2Cp centroid\u2013titanium distance is 2.0763\u2005(10)\u2005\u00c5 and the SiCp centroid\u2013titanium distance is 2.0793\u2005(10)\u2005\u00c5. The angle subtended at the Ti atom by the centroids of both cyclo\u00adpenta\u00addienyl rings is 131.22\u2005(4)\u00b0 and the Cl\u2014Ti\u2014Cl angle is 94.14\u2005(2)\u00b0.In the title compound, [Ti(C DOI: 10.1107/S1600536811046228/fj2469Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cyclo\u00adpenta\u00addienyl (Cp) rings of the ferrocene unit have a slightly staggered conformation skewed from an ideal eclipsed conformation by an angle of 3.5\u2005(6)\u00b0. The inter\u00adplanar angle between the Cp and the imidazole ring is 67.94\u2005(2)\u00b0.The structure of the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812045400/hg5258Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SbS3 and SbS5 units are connected with each other through corner- and edge-sharing, forming a Sb4S10 layer in the ab plane. The GeS4 tetra\u00adhedra further bridge two neighbouring Sb4S10 layers, forming a three-dimensional \u221e3[Sb4GeS10]4\u2212 network. The Ba2+ cation (..2) is located between two Sb4S10 layers and is coordinated by ten S atoms with Ba\u2014S bond lengths in the range 3.2505\u2005(9)\u20133.4121\u2005(2)\u2005\u00c5.The title quaternary compound, dibarium tetra\u00adanti\u00admony germanium deca\u00adsulfide, Ba DOI: Click here for additional data file.10.1107/S1600536813007988/jj2163Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the two independent PCA ligands bridges two ZnII cations, forming a zigzag polymeric chain running along the c axis. In the crystal, the NO3\u2212 anions link to the chain via O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonding. Weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions also occur.In the crystal of the title compound, {[Zn(C DOI: 10.1107/S1600536812016017/xu5508Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure was determined to prove that the thermolysis product of noradamantene dimer is favored by stretch release due to ring opening of the four-membered ring. The bond length of the quaternary C atoms of the starting material was calculated as 1.6\u2005\u00c5, enlarged in comparison to other single bonds. After the rearrangement, the stretch release of the above carbons leads to an increase of the distance between them (2.824\u2005\u00c5) with respect to the crystallographic data.The title compound, C DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two heterocyclic rings of the 5-(2-pyridin-2-\u00adyl)pyrazine-2-carbonitrile ligand are almost coplanar [dihedral angle = 5.63\u2005(8)\u00b0], and the two chelating ligands are in an anti relationship. The mononuclear units are inter\u00adconnected along [010] through C\u2014H\u22efO(nitrate) and C\u2014H\u22efN(cyano) inter\u00adactions, forming an infinite chain. The mononuclear units are stacked along the a axis and inter\u00adconnected via inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between adjacent pyridine and pyrazine rings [centroid\u2013centroid distances = 3.984\u2005(2) and 3.595\u2005(3)\u2005\u00c5], thus forming a three-dimensional supra\u00admolecular structure.In the mononuclear title complex, [Ag(NO DOI: 10.1107/S1600536811049221/zq2135Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Thus, the asymmetric unit comprises one half-mol\u00adecule. The planarity of the stannacyclo\u00adpenta\u00addiene ring is illustrated by the dihedral angle of 0.3\u2005(1)\u00b0, defined by the C4 and C\u2014Sn\u2014C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn\u2014Sn bond. These structural features are similar to those of other bis\u00adtannoles.The title compound, [Sn DOI: 10.1107/S1600536811022951/kp2332Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022951/kp2332Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two types of Tl+ ions in the complex, with coordination numbers of eight and seven and with stereochemically active and inactive lone-pair electrons, respectively. In the crystal, the doubly deprotonated ligands form two-dimensional hydrogen-bonded layers through O\u2014H\u22efO hydrogen bonds. The NH group is involved in a trifurcated intra\u00admolecular hydrogen bond. Coordination of the phospho\u00adnate ligands to the Tl+ ions creates a three-dimensional structure.The title compound, [Tl DOI: 10.1107/S1600536809031006/su2128Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular structure is composed of a dinuclear unit forming a central five-membered planar Be\u2014O\u2014Be\u2014O\u2014N ring . Both Be atoms show the unusual coordination number of three, with one Be atom coordinated by three O atoms and the other by two O atoms and one N atom, both in distorted trigonal\u2013planar environments. The Be\u2014O distances are in the range 1.493\u2005(5)\u20131.600\u2005(5)\u2005\u00c5 and the Be\u2014N distance is 1.741\u2005(5)\u2005\u00c5.The title compound, [Be DOI: Click here for additional data file.10.1107/S1600536812045655/wm2695Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II ion in the title complex, [MnBr2(C18H12N6)], is five-coordinated in a distorted square-pyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine (tptz) ligand and two bromide anions. In the crystal, the pyridyl rings coordinated to the Mn atom are inclined slightly to their carrier triazine ring [dihedral angles = 8.0\u2005(3) and 7.5\u2005(3)\u00b0], whereas the uncoordinated pyridyl ring is located approximately parallel to the triazine ring [dihedral angle = 3.7\u2005(3)\u00b0]. The complexes are stacked in columns along the a axis and linked by inter\u00admolecular C\u2014H\u22efBr hydrogen bonds, forming chains. In the column, inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions between the six-membered rings are present, the shortest centroid\u2013centroid distance being 3.750\u2005(4)\u2005\u00c5.The Mn DOI: 10.1107/S1600536811045211/zq2132Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn\u22efZn distance is 3.076\u2005(1)\u2005\u00c5. Each Zn atom is five-coordinated by two O and two N atoms from two Schiff base ligands, and by one azide N atom, forming a square-pyramidal geometry.The title compound, [Zn DOI: 10.1107/S1600536811043455/qm2038Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This fragment is located about an inversion center, and each SnIV atom is linked to two other hydrogenphenylphosphonate anions, giving a layered structure parallel to (010). The coordination geometry for the SnIV atoms is close to octa\u00adhedral. The layers are connected via O\u2014H\u22efO hydrogen bonds, generating a three-dimensional network. One butyl group is disordered over two sets of sites, with occupancies of 0.49\u2005(2) and 0.51\u2005(2).In the title compound, [Sn IV compounds, see: Evans & Karpel 4(C6H6PO3)4] = 0.053wR(F2) = 0.142S = 1.0510394 reflections570 parameters4 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 2.73 e \u00c5\u22123\u0394\u03c1min = \u22121.93 e \u00c5\u22123\u0394\u03c1COLLECT used to solve structure: SIR97 I, New_Global_Publ_Block. DOI: Click here for additional data file.10.1107/S1600536812040834/bh2452Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536811056145/hy2502Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The zinc cation is coordinated by six N atoms of four pyrimidine ligands and two N-bonded seleno\u00adcyanate anions in mutually trans orientations within a slightly distorted octa\u00adhedral coordination environment. The Zn atoms are \u03bc-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).The asymmetric unit of the title compound, [Zn(NCSe) DOI: 10.1107/S1600536811023129/wm2498Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Single crystals of the title complex were isolated from an aqueous\u2013ethano\u00adlic Ni2+\u2013en\u2013SiF6 2\u2212 system. The Ni(II) and Si atoms are each located on a special position with site symmetry 3.2. The Ni(II) atom coordination sphere is octa\u00adhedrally deformed, being coordinated by three chelating diamine ligands with an Ni\u2014N distance of 2.1233\u2005(18)\u2005\u00c5. The crystal packing of the respective ions corresponds to the structure type of the hexa\u00adgonal form of BN. Beside ionic forces, the packing is governed by N\u2014H\u22efF hydrogen bonds, which lead to the formation of hydro\u00adphobic channels running along the 63 screw axis. The structure was refined as an inversion twin [0.49\u2005(3): 0.51\u2005(3)].The ionic title complex, [Ni(C DOI: 10.1107/S1600536810041553/su2212Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions are incorporated into the chains through cyclic R43(10) inter\u00adactions involving amide and piperidinium N\u2014H\u22efOcarbox\u00adyl hydrogen bonds which, together with inter-anion carb\u00adoxy\u00adlic acid O\u2014H\u22efOcarbox\u00adyl hydrogen bonds, give a two-dimensional layered structure extending along (011).In the title racemic salt, C DOI: 10.1107/S1600536812004710/nk2139Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004710/nk2139Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A significant Jahn\u2013Teller distortion is observed with two axial Cu\u2014O distances significantly longer than those in the equatorial CuO2N2 plane. In the crystal, \u03c0\u2013\u03c0 stacking inter\u00adactions, with centroid\u2013centroid distances of 3.547\u2005(3) or 3.728\u2005(3)\u2005\u00c5 between the phenanthroline rings, form layers parallel to (011).In the title compound, [Cu(C DOI: 10.1107/S1600536811018162/sj5144Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The biphenyl ligand acts as a linear bidentate ligand, connecting the metal atoms into an infinite chain parallel to [101]. In the biphenyl ligand, the two benzene rings make a dihedral angle of 33.19\u2005(7)\u00b0.In the title compound, [CuCl DOI: 10.1107/S1600536811011421/fj2406Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic rings in the ligand is 0.70\u2005(9)\u00b0. In the polynitrile 1,1,3,3-tetra\u00adcyano-2-eth\u00adoxy\u00adpropenide (tcnoet) anion, the C\u2014N, C\u2014C and C\u2014O bond lengths indicate extensive electronic delocalization. An alternative description for the metal-ion geometry is an extremely distorted CuN6 octa\u00adhedron, with two N-bonded tcnoet anions completing the coordination. In the crystal, the components are linked by N\u2014H\u22efN and C\u2014H\u22efN inter\u00adactions.In the title compound, [Cu(C DOI: 10.1107/S1600536810029752/hb5555Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu(II) atom is in a distorted trigonal\u2013planar CuN2P coordination. Bond angles around the amino N atom suggest sp 2 hybridization. Several intra\u00admolecular C\u2014H\u22efN inter\u00adactions are present involving tetra\u00adzolate N atoms. In the binuclear centrosymmetric crystal structure of the title compound, [Cu DOI: 10.1107/S1600536811022719/hp2003Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the C atom of the methyl group of the M\u03b1NP acid lies in the extended plane of the naphthyl ring system and a weak intra\u00admolecular C\u2014H\u22efO hydrogen bond links the naphthyl ring system and the meth\u00adoxy group. These structural properties are similar to those of most M\u03b1NP acid esters.The relative configuration of the alcohol component in the title ester, C DOI: 10.1107/S160053681002101X/zs2041Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two crystallographically independent Na+ cations in the asymmetric unit. One Na+ cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+ cation is surrounded by six O atoms from five citrate ligands in a distorted octa\u00adhedral geometry. The Na+ cations are bridged by citrate carboxyl\u00adate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4\u2212 building units as \u2018pillars\u2019; O\u2014H\u22efO hydrogen bonds also stabilize the structure.In the title compound, [Na DOI: 10.1107/S1600536813030067/hy2639Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiII atoms are bridged by the 2,4\u2032-oxydibenzoate anions, resulting in the formation of helical chains parallel to [010] with a repeating unit of 15.039\u2005(2)\u2005\u00c5.In the title compound, [Ni(C DOI: 10.1107/S1600536810046210/wm2416Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ethyl\u00adene\u00addiamminium cations are linked to the anions via N\u2014H\u22efO hydrogen bonds. The asymmetric unit contains one-half of the compound, the other half being related to the first by an inversion centre. The crystal structure presents alternate stacking of the inorganic and organic layers along the crystallographic b axis. The structure cohesion and stability is further assured by O(water)\u2014H\u22efO hydrogen bonds.The crystal structure of the title compound, [NH DOI: 10.1107/S1600536811030005/go2021Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex cation, the MgII atom is coordinated by two N atoms from a 2,2\u2032-bipyridine ligand and four water O atoms in a distorted MgN2O4 octa\u00adhedral geometry. The MgII atom is located on a twofold rotation axis and thus a cation exhibits C 2 mol\u00adecular symmetry. The 2,2\u2032-bipyridine ligands exhibit nearly perfect planarity (r.m.s. deviations = 0.0061\u2005\u00c5). In the crystal, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the cations and anions into a three-dimensional supra\u00admolecular network.The title compound, [Mg(C DOI: 10.1107/S1600536810047690/kp2287Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "V atom in the title compound, [V(C7H6ClN2O)(C16H11ClN2O3)O]\u00b7CH3OH, is N,O-chelated by the benzoyl\u00adhydrazidate anion and O,N,O\u2032-chelated by the (benzoyl\u00adhydrazinyl\u00adidene)propionate dianion. The distorted octa\u00adhedral trans-N2O4 coordination geometry is completed by the vanadyl O atom. The mononuclear and solvent mol\u00adecules are linked by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds about a center of inversion, generating a dimer.The V DOI: 10.1107/S1600536810045678/hg2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The H2btec2\u2212 anion exhibits two different coordination modes, viz. \u03bc2 and \u03bc4. Both of the H2btec2\u2212 anions are located on special positions (inversion centers). The \u03bc4-anion bridges adjacent MnII atoms, forming a chain along the a axis. Adjacent chains are further bridged by \u03bc2-anions, resulting in a two-dimensional layered polymer parallel to (011). In the crystal, extensive carb\u00adoxy\u2013carboxyl\u00adate O\u2014H\u22efO and water\u2013carboxyl\u00adate O\u2014H\u22efO inter\u00adactions lead to the formation of a three-dimensional supra\u00admolecular network.In the title compound, [Mn DOI: 10.1107/S1600536812035441/zq2172Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure of this hybrid compound consists of CdO6, CdO5 and PO4 polyhedra arranged so as to build an anionic inorganic layer, namely [Cd2(HPO4)3]2\u2212, parallel to the ab plane. The edge-sharing CdO6 octa\u00adhedra form infinite chains running along the a axis and are linked by CdO5 and PO4 polyhedra. The ethyl\u00adene\u00addiammonium cation and the water mol\u00adecule are located between two adjacent inorganic layers and ensure the cohesion of the structure via N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.The title compound, {(C DOI: 10.1107/S1600536810038729/fk2024Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "J. Am. DOI: 10.1107/S1600536811043820/bh2385Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the 2-amino\u00adpyrazine ligand is equally disordered over two positions about an inversion center, and bridges the HgII cations with pyrazine N atoms to form a polymeric chain running along the c axis. In the polymeric chain, the amino groups link to the coordinated I\u2212 anions via inter\u00admolecular N\u2014H\u22efI hydrogen bonds.In the crystal of the title polymeric compound, [HgI DOI: 10.1107/S1600536812006149/xu5467Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The water O atom is invoved in three different hydrogen-bonding interactions, as donor to the acetate O atom and to the the ligand O atom and as acceptor to a ligand N atom.In the binuclear centrosymmetric title compound, [Cu DOI: 10.1107/S1600536812023070/gw2117Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoII ion has site symmetry 2 and one of the 4,4\u2032-bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66\u2005(5)\u00b0]. The other 4,4\u2032-bpy ligand is generated by a crystallographic inversion center. The CoII ion exhibits a slightly distorted octa\u00adhedral coordination geometry defined by two O atoms of two coordinating water mol\u00adecules and four N atoms from four bridging 4,4\u2032-bpy ligands. The structure is consolidated by O\u2014H\u22efO, C\u2014H\u22efO and C\u2014H\u22efN hydrogen bonds.The title compound, {[Co(C DOI: Click here for additional data file.10.1107/S1600536813005230/hb7035Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The aromatic rings of the L ligand form a dihedral angle of 2.1\u2005(1)\u00b0.In the title compound, [Sn(C DOI: Click here for additional data file.10.1107/S1600536812047216/cv5361Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The chloride and carbonyl ligands show positional disorder, and the RhI atom lies on a center of inversion. The effective cone angle \u0398E for the title compound is 169.0\u2005(3)\u00b0. There are no significant inter\u00admolecular inter\u00adactions.In the title compound, [RhCl(C DOI: 10.1107/S1600536811045715/pv2465Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the rings is 12.4\u2005(1)\u00b0. The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into C(4) chains running along the c-axis direction.In the title compound, C DOI: 10.1107/S1600536811040864/bt5661Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040864/bt5661Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CrC4P2 coordination geometry is distorted octa\u00adhedral, with a P\u2014Cr\u2014P bite angle of 99.22\u2005(4)\u00b0.The title compound, [Cr(C DOI: 10.1107/S1600536812000219/yk2038Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A half-occupied H atom attached to a pyridinium cation forms an N\u2014H\u22efN hydrogen bond with a centrosymmetrically-related pyridine unit. Four pyrazine-2-carbo\u00adnitrile mol\u00adecules crystallize per complex anion. In the crystal, \u03c0\u2013\u03c0 stacking inter\u00adactions are present .In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813010362/hy2622Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010362/hy2622Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The non-aromatic pyrrolidine ring in each independent mol\u00adecule adopts a half-chair conformation; the ring puckering parameters are \u03b8 = 0.407\u2005(3)\u2005\u00c5 and \u03d5 = 270.5\u2005(4)\u00b0, and the pseudo-rotation parameters are \u03c1 = 72.5\u2005(3)\u00b0 and \u03c4 = 42.2\u2005(2)\u00b0 for an N\u2014C bond of molecule A, and the corresponding values are 0.415\u2005(3)\u2005\u00c5, 271.6\u2005(4)\u00b0, 73.6\u2005(3)\u00b0 and 42.6\u2005(2)\u00b0 for molecule B. The dihedral angles between the central fused-ring system and the substituted chlorophenyl and methylphenyl rings are 66.35 and 45.59\u00b0, respectively, for molecule A, and 64.51 and 41.89\u00b0 for molecule B. The geometry of all four intramolecular C\u2014H\u22ef\u03c0 interactions are of type III. \u03c0\u2013\u03c0 interactions involving the centroids of symmetry-related pyrrole rings of molecule B are 4.390\u2005\u00c5, contributing further to the stability of the molecule.The title compound, C DOI: 10.1107/S1600536813019168/gg2114Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813019168/gg2114Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "No classic hydrogen bonds or inter\u00admolecular inter\u00adactions are observed in the crystal.In the title compound, [FeSn(C DOI: 10.1107/S1600536810022488/zq2044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridine and the pyrrole rings are nearly perpendicular to each other, making a dihedral angle of 84.83\u2005(7)\u00b0.In the title compound, [Zn(C DOI: 10.1107/S1600536810028503/dn2587Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title complex, [CuBr(C DOI: 10.1107/S1600536811001814/hg2780Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridine rings are aligned nearly perpendicularly to each other [dihedral angle = 82.28\u2005(13)\u00b0]. The phen\u00adoxy rings form dihedral angles of 12.37\u2005(12) and 12.16\u2005(14)\u00b0 with the phenyl\u00adene ring. In the crystal, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the ions into a three-dimensional network.In the title compound, [Co(C DOI: 10.1107/S1600536813020953/rz5078Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions stabilize the crystal structure. The crystal studied was found to be a racemic twin. The dihedral angles between the substituted phenyl ring and the benzo[c]phenanthridine system are 87.13\u2005(5) and 79.25\u2005(5)\u00b0 in the two molecules.There are two independent mol\u00adecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536810043485/hg2734Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the bromo\u00adacetyl residue, the Br and O atoms are co-planar [the O\u2014C\u2014C\u2014Br torsion angle is 5.7\u2005(4)\u00b0] and are syn to each other. Helical supra\u00admolecular chains along the b axis are formed in the crystal structure mediated by C\u2014H\u22efO contacts; the carbonyl-O atom is bifurcated. The chains are linked into layers by C\u2014H\u22ef\u03c0(unsubstituted ring) inter\u00adactions that stack along the a-axis direction.In the title mol\u00adecule, [Fe(C DOI: 10.1107/S1600536811050434/hg5144Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The BAIM cation possesses m symmetry, with the central imidazole ring and four C atoms of each terminal adamantyl group located on a mirror plane. The Fe and two Cl atoms of the TCF anion are also located on the mirror plane. The cyclo\u00adhexane rings of the adamantyl groups adopt normal chair conformations.The crystal structure of the title compound, (C DOI: 10.1107/S1600536810043989/xu5064Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mononuclear units are inter\u00adconnected through \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.801\u2005(2) and 3.979\u2005(3)\u2005\u00c5] and the hexa\u00adfluoridophosphate anions are embedded within the inter\u00adstices. C\u00a0N\u22ef\u03c0 inter\u00adactions [N\u22efcentroid = 3.519\u2005(2)\u2005\u00c5] and C\u2014H.\u22efN hydrogen-bonding inter\u00adactions also occur.In the mononuclear title complex, [Ag(C DOI: 10.1107/S1600536811051403/bt5734Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [Cd(C12H27O3SSi)2(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silane\u00adthiol\u00adate residue and one pyrazole N atom in a distorted geometry that is slightly closer to trigonal\u2013bipyramidal than to square-based pyramidal. The pyrazole ligand is stabilized within the complex by an intra\u00admolecular N\u2014H\u22efO hydrogen bond. One of the tert-butyl groups is disordered over two orientations with occupancy ratio of 0.534\u2005(6):0.466\u2005(6).The Cd DOI: Click here for additional data file.10.1107/S1600536812047186/vn2060Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In each, the 1,3-dioxane ring adopts an envelope conformation with the dimethyl-substituted C atom forming the flap. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811002285/lh5196Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three benzene rings in one phosphane ligand make dihedral angles of 53.50\u2005(9), 75.51\u2005(10) and 80.63\u2005(10)\u00b0 with each other, while in the other ligand these angles are 51.92\u2005(10), 78.56\u2005(11) and 86.80\u2005(10)\u00b0. C\u2014H\u22efO and C\u2014H\u22efF inter\u00adactions link the mol\u00adecules into a three-dimensional network. Each of the F atoms is disordered over two positions with refined occupancies of 0.944\u2005(3):0.056\u2005(3), 0.702\u2005(4):0.298\u2005(4), 0.829\u2005(4):0.171\u2005(4), 0.567\u2005(4):0.433\u2005(4), 0.545\u2005(4):0.455\u2005(4) and 0.920\u2005(4):0.080\u2005(4).In the title compound, [Cr(C DOI: 10.1107/S1600536811045284/is2790Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ ion exhibits a distorted octa\u00adhedral coordination environment defined by four N atoms from four bimb ligands in the equatorial plane and two chloride ions in axial positions. The bridging coordination mode of the bimb ligands leads to the formation of inter\u00adpenetrating square Ni4(bimb)4 units that are arranged parallel to (001). The separation between the Ni atoms in these units is 13.740\u2005(3)\u2005\u00c5.The asymmetric unit of the title compound, [NiCl DOI: 10.1107/S1600536811044448/wm2543Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cd2+ cation is ligated by one O atom and two N atoms of the tridentate ligand and two bromide anions, forming a Br2CdN2O polyhedron with a distorted trigonal\u2013bipyramidal coordination geometry. In the crystal, non-classical C\u2014H\u22efBr hydrogen bonds are observed. In addition, \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.7455\u2005(19)\u2005\u00c5] contribute to the stabilization of the crystal structure.The title compound, [CdBr DOI: 10.1107/S1600536812023185/vm2176Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Bull. S DOI: 10.1107/S1600536814000361/pj2008Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The two K+ ions lie on crystallographic inversion centers. The Eu\u2014O bond distances are in the range 2.294\u2005(5)\u20132.413\u2005(5)\u2005\u00c5. The crystal used was a non-merohedral twin, the ratio of the twin domains being 0.5236\u2005(5):0.4764\u2005(5).In the crystal structure of the title complex, K[Eu(C DOI: 10.1107/S1600536810021458/lh5047Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds link the complex cations and perchlorate anions.In the title compound, [Mn(C DOI: 10.1107/S1600536811023531/hy2441Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This inorganic\u2013organic hybrid compound exhibits a layered structure in which isolated CoCl4 inorganic layers alternate with bilayers of phenylethylammonium cations. Although the inorganic anion is zero-dimensional, the layered structure is stabilized via N\u2014H\u22efCl hydrogen bonds. The CoCl4 tetra\u00adhedra connect to the cations through N\u2014H\u22efCl hydrogen bonds, building a two-dimensional network extending parallel to (010).Crystals of the title compound, (C DOI: 10.1107/S1600536811011603/si2347Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The P\u2014Pt\u2014N angle is 89.80\u2005(5)\u00b0 and the corresponding angle between the Cl ions is 87.92\u2005(2)\u00b0.The title compound, [PtCl DOI: 10.1107/S1600536811040098/go2029Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three CO ligands have C\u2014Mn\u2014C angles in the range 89.44\u2005(10)\u201392.31\u2005(9)\u00b0, while the three N atoms of the tripodal ligand form significantly smaller N\u2014Mn\u2014N angles of 82.76\u2005(2)\u201385.51\u2005(6)\u00b0. The three N atoms of the tripodal ligand and the three carbonyl ligands coordinate facially. In the crystal, the trifluoro\u00admethane\u00adsulfonate counter anion is connected by a medium-strength O\u2014H\u22efO hydrogen bond to the hydroxyl group of the manganese complex.In the title compound, [Mn(C DOI: 10.1107/S1600536812035891/pk2428Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII atoms are bridged by terephthalate ligands, generating an infinite zigzag chain along [101].In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536810022385/is2548Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The unique ZnII ion is coordinated by one triazole N atom, one pyridine N atom and two Br atoms in a slightly distorted tetra\u00adhedral coordination environment. Symmetry-related ZnII ions are connected by bridging L ligands into chains parallel to [001] in which the Zn\u22efZn separation is 8.643\u2005(7)\u2005\u00c5. In the crystal structure, weak inter\u00admolecular C\u2014H\u22efBr hydrogen bonds link the chains into a three-dimensional network.The title complex, [ZnBr DOI: 10.1107/S1600536810026188/lh5068Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion exhibits a distorted tetra\u00adhedral arrangement about the HgII atom. In the crystal, the cations and anions are linked by N\u2014H\u22efBr hydrogen-bonding inter\u00adactions along [010]. Cation\u2013cation \u03c0\u2013\u03c0 stacking and Br\u22efBr inter\u00admolecular inter\u00adactions are absent.The asymmetric unit of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812046788/bx2429Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, complex mol\u00adecules are linked via Cu\u22efCl inter\u00adactions [2.9933\u2005(11)\u2005\u00c5], forming a two-dimensional network parallel to the bc plane. They are also Cl\u22efCl inter\u00adactions [3.3709\u2005(14)\u2005\u00c5] present, which consolidate the two-dimensional network structure.In the title compound, [Cu(C DOI: 10.1107/S1600536812025044/su2417Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the so far unknown dianion, the symmetry-related TaV atoms are octa\u00adhedrally coordinated by five F atoms and a bridging O atom, the latter being located on an inversion centre. The two pyridine rings in the cation make a dihedral angle of 22.8\u2005(4)\u00b0. The cations and dianions are arranged in layers parallel to (100) and are connected through N\u2014H\u22efF and C\u2014H\u22efF hydrogen-bonding inter\u00adactions into a three-dimensional structure.In the title compound, (C DOI: 10.1107/S1600536812014742/wm2602Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The geometry of the resulting CuN2O4 coordination can be described as distorted octa\u00adhedral. In the crystal, there are several inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds. An intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs in one of the cations. Considerable \u03c0\u2013\u03c0 stacking inter\u00adactions are also observed between the aromatic rings of the cations, with centroid\u2013centroid distances of 3.4567\u2005(13), 3.5342\u2005(14), 3.6941\u2005(14) and 3.4568\u2005(13)\u2005\u00c5. These non-covalent inter\u00adactions connect the components, forming a three-dimensional supra\u00admolecular structure.The title compound, (C DOI: 10.1107/S160053681100674X/vm2078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The perchlorate ions are all disordered over two positions in a 1:1 ratio. The cation inter\u00adacts weakly with the anion by N\u2014H\u22efO hydrogen bonds, generating a three-dimensional network.In the title salt, [Zn DOI: 10.1107/S1600536810038730/hg2718Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These CaO7N polyhedra are connected via the anions into a three-dimensional network. The anions are additionally linked by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonding. In the title compound, [Ca(C DOI: 10.1107/S1600536810039000/nc2199Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its structure is isotypic with K2V2O2(PO4)2. The framework is built up from corner-sharing VO6 octa\u00adhedra and AsO4 tetra\u00adhedra, creating an infinite [VAsO8]\u221e chain running along the a- and c-axis directions. The K+ cations are located in hexa\u00adgonal tunnels, which are delimited by the connection of the [VAsO8]\u221e chains.The vanadium oxide arsenate with formula K DOI: 10.1107/S1600536812027183/ru2035Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The zinc(II) atoms are further connected via a \u03bc3-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four seleno\u00adcyanato anions, one \u03bc3-hydroxido anion, four pyridazine mol\u00adecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two seleno\u00adcyanato anions, two pyridazine ligands and the \u03bc3-hydroxido anion are located on a crystallographic mirror plane, whereas the cyanido anion is located on a twofold rotation axis. Therefore, this anion is disordered due to symmetry. The cyanido anions connect the metal centres into polymeric zigzag chains propagating along the a axis.In the crystal structure of the title compound, [Zn DOI: 10.1107/S1600536810029107/bt5302Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The diprotonated piperazine ring adopts a chair conformation. In the crystal structure, the cations and anions are linked by inter\u00admolecular N\u2014H\u22efCl hydrogen bonds into a chain along [001].In the title compound, (C DOI: 10.1107/S1600536810028631/bx2289Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PMe3 ligand is coordinated in the basal position, roughly cis to the Fe\u2014Fe bond. The Fe\u2014Fe distance of 2.4970\u2005(6)\u2005\u00c5 is relatively short compared to those (ca 2.53\u2005\u00c5) found in another monosubstituted diiron compound. A rigid planar dithiol\u00adate bridge is featured, with an angle of 2.78\u2005(1)\u00b0 between the Fe\u2014Fe bond and the normal to the pyrazine-2,3-dithiol\u00adate plane.In the title compound, [Fe DOI: 10.1107/S1600536811046770/hy2484Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Te atom is coordinated by a 4-methyl\u00adphenyl group and the Fe0 atoms in a distorted tetra\u00adhedral geometry. The average Te\u2014Fe bond length is 2.574\u2005(4)\u2005\u00c5.In the anion of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813013056/im2431Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, C\u2014H\u22efN, C\u2014H\u22efO and C\u2014H\u22efS inter\u00adactions link adjacent mol\u00adecules into layers parallel to the ac plane. A weak inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adaction occurs between the aromatic rings with a centroid\u2013centroid distance of 3.9412\u2005(9)\u2005\u00c5.In the title compound, [Cu(NCS) DOI: 10.1107/S1600536810050889/is2639Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812035337/vn2048Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The (triphos)Pt moiety and the mesityl group are attached to the cyclo\u00adoct-4-ene motif at the 1- and 8-position in a syn configuration. The (BF4)\u2212 anion and one of the dichloromethane solvate molecules each are disordered over two sets of sites.In the title ionic compound, [Pt(C II-alkyl compounds, see: Koh & Gagn\u00e9 (C34H33P3)](BF4)\u00b72CH2Cl2 = 0.022 wR(F 2) = 0.053 S = 1.01 10061 reflections655 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.85 e \u00c5\u22123 \u0394\u03c1min = \u22120.69 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: XPREP global, I. DOI: 10.1107/S1600536811023853/jh2297Isup2.cdx Supplementary material file. DOI: 10.1107/S1600536811023853/jh2297Isup3.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom exhibits a distorted octa\u00adhedral N3O3 environment. O\u2014H\u22efO hydrogen bonding between coordinated water and carboxyl\u00adate O atoms, as well as \u03c0\u2013\u03c0 stacking inter\u00adactions [inter\u00adplanar distances between phen rings = 3.293\u2005(2)\u2005\u00c5] lead to a supermolecular assembly.The title compound, [Ni(C DOI: 10.1107/S1600536811026055/pv2419Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds form a one-dimensional left-handed helical structureextending parallel to [001]. The water molecule of crystallization shows half-occupancy.In the title complex, [Cu(C DOI: 10.1107/S1600536811012049/hy2419Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The borohydride anions are situated on special positions with 4mm site symmetry and show rotational disorder around the fourfold axis.In the crystal structure of the title compound, C DOI: 10.1107/S1600536811029291/cv5120Isup2.cml Supplementary material file. DOI: 10.1107/S1600536811029291/cv5120Isup2.rtv Rietveld powder data: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "The four phenyl rings are tilted with respect to the cyclo\u00adbutadienyl plane so that the C4Ph4 unit constitutes a four-bladed propeller. The phenyl ring of the phenyl-alkyne substituent is inclined to the cyclo\u00adpenta\u00addienyl ring at an angle of 34.92\u2005(18)\u00b0. The crystal structure is stabilized solely by C\u2014H\u22ef\u03c0 inter\u00adactions which generate a three-dimensional network.In the title compound, [Co(C DOI: 10.1107/S1600536811016928/cv5089Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, dinuclear units with a Cd\u22efCd separation of 3.8208\u2005(7)\u2005\u00c5 are observed. Each of these dinuclear units is bridged via 3,3\u2032-bpda in a chelating/chelating and bridging fashion, generating a zigzag chain along the c axis. Neighboring chains are further packed via weak \u03c0\u2013\u03c0 inter\u00adactions between inter\u00adchain parallel 1,10-phen rings [centroid\u2013centroid distance = 3.5197\u2005(9)\u2005\u00c5] into a three-dimensional supra\u00admolecular architecture.In the title compound, [Cd(C DOI: 10.1107/S1600536811042085/im2322Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Of the two water H atoms, one is engaged in an intra\u00admolecular hydrogen bond with a free oxygen of the dianion whereas the second is engaged in an inter\u00admolecular hydrogen bond, building a corrugated layer parallel to (100). These layers are further connected through \u03c0\u2013\u03c0 stacking inter\u00adactions involving symmetry-related phenanthroline rings [centroid\u2013centroid distance = 3.5599\u2005(17) and 3.5617\u2005(18)\u2005\u00c5], building a three dimensionnal network. C\u2014H\u22ef\u03c0 inter\u00adactions involving the phenanthroline ring system are also observed.In the centrosymmetric dinuclear title complex, [Cu DOI: 10.1107/S1600536811007938/dn2661Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordinating pyridine rings are oriented in an almost perpendicular fashion, making a dihedral angle of 83.7\u2005(5)\u00b0. In the title compound, [ZnI DOI: Click here for additional data file.10.1107/S1600536813001736/lr2093Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efN hydrogen bond occurs in the benzohydrazidate ligand. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is present in the crystal.In the title complex, [V(C DOI: 10.1107/S1600536812032229/xu5587Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pipemidic acid ligand acts a bidentate ligand and the single deprotonated 4,4\u2032-oxydibenzoic acid acts as an anion. Classical N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811006672/rk2260Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure features a three-dimensional hydrogen-bonding network based on a strong and distinctive pattern of O\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the centrosymmetric title molecule, [Mn DOI: 10.1107/S1600536811008063/pb2059Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one hep ligand and a CuBr unit. The Cu2+ ion is thereby coordinated by the N atom and the deprotonated hydroxy O atom in a distorted square-planar geometry that is completed by another O atom. The latter acts as bridging ligand towards the second, symmetry-equivalent, Cu atom, thus generating a centrosymmetric dimeric unit, with the inversion centre halfway between the Cu atoms. These units are linked via C\u2014H\u22efBr and C\u2014H\u22efO hydrogen bonds, leading to the formation of a hydrogen-bonded one-dimensional-polymeric chain along a..The title compound, [Cu DOI: 10.1107/S1600536811043637/fi2115Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [Ni(C13H8BrNOS)(C18H15P)], is coordinated by the N, O and S atoms of the dianionic tridentate ligand, and its square-planar geometry is completed by a phosphane P atom. The dihedral angle between the aromatic rings in the 4-bromo-2-[(2-sulfido\u00adphen\u00adyl)imino\u00admeth\u00adyl]phenolate ligand is 2.01\u2005(14)\u00b0. The most prominent feature of the packing is the presence of supra\u00admolecular chains aligned along the a axis, mediated by C\u2014H\u22efS inter\u00adactions.The Ni DOI: 10.1107/S1600536811008907/hb5813Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The range of Sr\u2014O bond lengths is 2.4822\u2005(13)\u20132.8113\u2005(13)\u2005\u00c5. C\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding inter\u00adactions stabilize the mol\u00adecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.The title compound, [Sr(C DOI: 10.1107/S1600536811033769/dn2710Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Six carboxyl\u00adate groups of six 5-(carboxyl\u00adatometh\u00adoxy)benzene-1,3-dicarboxyl\u00adate anions (OABDC3\u2212) join three MnII ions into a trinuclear centrosymmetric [Mn3(\u03bc2-COO)6] unit with one Mn site situated on a centre of inversion. The latter MnII ion exhibits a distorted MnO6 coordination, whereas the other MnII ion has a trigonal\u2013bipyramidal MnN2O3 coordination environment resulting from three carboxylate O atoms and the two N atoms of the bipyridine ligand. Adjacent units are linked to each other by OABDC3\u2212 ligands into a layer parallel to (010). Within the layer, O\u2014H\u22efO hydrogen-bonding inter\u00adactions involving the uncoordinated and half-occupied water mol\u00adecule and the free carboxyl\u00adate O atoms are observed. The layers stack along [010], constructing a three-dimensional structure through \u03c0\u2013\u03c0 inter\u00adactions between adjacent pyridine rings, with a centroid\u2013centroid distance of 3.473\u2005(5)\u2005\u00c5.The title compound, {[Mn DOI: 10.1107/S1600536811002819/wm2447Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distance between the CuI atoms within the dinuclear unit is 2.6723\u2005(11)\u2005\u00c5.In the centrosymmetric dinuclear title complex, [Cu DOI: 10.1107/S1600536812020843/kp2406Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The resulting compound is the salt of the 2,6-bis\u00ad(2-meth\u00adoxy\u00adphen\u00adyl)pyridinium cation and 0.5 equivalents of a hexa\u00adbromido\u00addicuprate(II) dianion. Both meth\u00adoxy groups of the cationic pyridinium moiety are directed towards the N atom of the pyridine ring as a result of intra\u00admolecular N\u2014H\u22efO hydrogen bonds. The centrosymmetric hexabromidodicuprate dianion possesses a distorted tetra\u00adhedral geometry at the copper ion. The Cu\u2014Br bond lengths are 2.3385\u2005(7) and 2.3304\u2005(7)\u2005\u00c5 for the terminal bromides, whereas the bond length between the Cu atom and two bridging bromides is slightly longer [2.4451\u2005(6)\u2005\u00c5].The title salt, (C DOI: 10.1107/S1600536811003588/vn2002Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The K atoms occupy the The title compound, KSn DOI: 10.1107/S1600536811035604/fi2111Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co2+ cations are connected by bridging formate anions into a three-dimensional coordination network in which the K+ cations are embedded. The asymmetric unit consits of one Co2+ cation located on a center of inversion, one K+ cation located on a twofold axis and two crystallographically independent formato anions, of which one is located on a twofold axis and the other occupies a general position.In the crystal structure of the title compound, poly[tri-\u03bc-formato-cobalt(II)potassium], [CoK(CHO DOI: 10.1107/S1600536811008737/kj2172Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811045624/bt5698Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811045624/bt5698Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The layers are constituted of large Al6As6O36 rings made up from six AlO4 and AsO4 tetra\u00adhedra in which two sodium cations are situated, the third sodium cation being located in the inter\u00adlayer space. The structural relationships between the title compound and Na3Fe(PO4)2, NaAlCo(PO4)2 and Al5Co3(PO4)8 are discussed.The structure of the title compound tris\u00adodium aluminium bis\u00ad(arsenate), Na DOI: Click here for additional data file.10.1107/S1600536813002213/vn2065Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is dominated by inter\u00admolecular C\u2014H\u22efF hydrogen bonds, C\u2014F\u22ef\u03c0 inter\u00adactions between the penta\u00adfluoro\u00adbenzene groups [F\u22efcentroid distances = 3.882\u2005(2) and 3.884\u2005(2)\u2005\u00c5] and \u03c0\u2013\u03c0 inter\u00adactions between the penta\u00adfluoro\u00adbenzene and cyclo\u00adpenta\u00addienyl rings [centroid\u2013centroid distance = 3.741\u2005(1)\u2005\u00c5].The mol\u00adecular structure of the title compound, [Fe(C DOI: 10.1107/S1600536810026772/hy2327Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, adjacent mol\u00adecules are linked by inter\u00admolecular O\u2014H\u22efO inter\u00adactions, generating a helical hydrogen-bonded chain running along the b axis.The five-coordinate Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536810033623/bt5330Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The plane is extended by the two I atoms, each having a deviation of 1.0\u2005(6)\u2005\u00c5 [C\u2014C\u2014C\u2014I torsion angle = 178.9\u2005(4)\u00b0]. The central C\u2014C bond connecting the two quaternary carbons seems enlarged [1.593\u2005(9)\u2005\u00c5] in comparison to the corresponding bond in [2]diadamantane [1.554\u2005(3)\u2005\u00c5]. This is attributed to the presence of the electronegative I atoms, which affect inductively the C atoms of the four-C-atom plane, making the central C\u2014C bond weaker.The title compound, C DOI: 10.1107/S1600536812026797/zj2079Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812026797/zj2079Isup3.cdxSupplementary material file. DOI: 10.1107/S1600536812026797/zj2079Isup4.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "These ligands bridge the NiII complex units, forming chains extending along the [110] and [In the title compound, {[Ni(C DOI: 10.1107/S1600536811007021/zs2096Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The VV atom is five-coordinated by the two O and one N donor atoms of the Schiff base ligand, one methano\u00adlate O atom and one oxido O atom, forming a distorted square-pyramidal geometry.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811040207/qm2033Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two 1,10-phenanthroline-5,6-dione ligands is 58.4\u2005(1)\u00b0. There is an intra\u00admolecular O\u2014H\u22efO hydrogen bond in the 3,5-dinitro\u00adsalicylate anion.In the cation of the title salt, [Ag(C DOI: 10.1107/S1600536811053785/vn2025Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thia\u00adzole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96\u2005(9)\u00b0. Extensive O\u2014H\u22efO, N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536811015157/xu5191Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu(II) atom is coordinated by two phenanthroline (phen) mol\u00adecules and one chloride anion in a distorted trigonal\u2013bipyramidal geometry. The Cu(II) complex cations form layers through \u03c0\u2013\u03c0 stacking [interplanar distance = 3.481\u2005(2)\u2005\u00c5]. The dichloridocuprate(I) anions are located between the layers, forming a sandwich-like structure.The asymmetric unit of the title compound, [CuCl(C DOI: 10.1107/S1600536810054073/jh2249Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the CuII mononuclear dianions are linked by O\u2014H\u22efO hydrogen bonds into a tape along the a-axis direction. The tapes are linked through N\u2014H\u22efO hydrogen bonds between the dianion and the n-do\u00addecyl\u00adammonium cation, forming a two-dimensional network parallel to the ab plane.In the title compound, (C DOI: 10.1107/S1600536814001202/is5334Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The thia\u00adzolidine ring forms the dihedral angles of 29.22\u2005(12) and 67.79\u2005(10)\u00b0 with the benzene and pyridine rings, respectively. The benzene and pyridine rings are tilted by dihedral angle of 67.18\u2005(9)\u00b0. In the crystal, inter\u00admolecular C\u2014H\u22efO hydrogen bonds link the mol\u00adecules into a two-dimensional network.The title compound, C DOI: 10.1107/S1600536811012177/kp2314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the pyridinium rings attached to the central 1-aza\u00adniumyl-2-hy\u00addroxy\u00adethane fragment have an anti conformation, as indicated by the central C\u2014C\u2014C\u2014C torsion angle of \u2212166.5\u2005(6)\u00b0, and they are inclined to one another by 63.5\u2005(4)\u00b0. In the crystal, the cations and anions are linked through N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds. There are also \u03c0\u2013\u03c0 contacts [centroid\u2013centroid distances = 3.671\u2005(4) and 3.851\u2005(4)\u2005\u00c5] and a number of C\u2014H\u22efCl inter\u00adactions present, consolidating the formation of a three-dimensional supra\u00admolecular structure.The title compound, (C DOI: Click here for additional data file.10.1107/S160053681300425X/su2560Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The PbN2S4 coordination geometry approximates to a penta\u00adgonal bipyramid with one equatorial site vacant. The N atoms occupy the axial sites. One of the pyridine mol\u00adecules is disordered over two sets of sites in a 0.907\u2005(7):0.093\u2005(7) ratio and one of the tert-butyl groups is disordered over two sets of sites in a 0.534\u2005(6):0.466\u2005(6) ratio. An intra\u00admolecular C\u2014H\u22efO inter\u00adaction occurs in one of the ligands. In the crystal, pairs of short Pb\u22efS contacts [3.4018\u2005(11)\u2005\u00c5] generate a centrosymmetric dimeric assembly with the distant S atom lying in the region of the vacant coordination site of the metal atom. No directional packing inter\u00adactions occur.In the title compound, [Pb(C For the preparation of the ligand, see: Li & Xie 1997. For van20H26O2PS2)2(C5H5N)2] = 0.033wR(F2) = 0.068S = 1.0210953 reflections663 parameters572 restraintsH-atom parameters constrainedmax = 0.80 e \u00c5\u22123\u0394\u03c1min = \u22120.69 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I. DOI: 10.1107/S1600536813023945/hb7129Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecular structure exhibits an S(6) ring motif, owing to an intra\u00admolecular O\u2014H\u22efO hydrogen bond. In the crystal, weak C\u2014H\u22efO contacts generate an infinite chain along the c axis. There are also \u03c0\u2013\u03c0 stacking inter\u00adactions between neighbouring isochromanedione benzene rings, with a centroid\u2013centroid distance of 3.755\u2005(1)\u2005\u00c5, and C\u2014O\u22ef\u03c0 inter\u00adactions with an O\u22efcentroid distance of 3.964\u2005(2)\u2005\u00c5.In the title compound, C DOI: 10.1107/S1600536811050975/fj2488Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050975/fj2488Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two phenyl groups are disordered over two set of sites in ratios of 0.721\u2005(13):0.279\u2005(13) and 0.71\u2005(7):0.29\u2005(7).In the title compound, [Pt(C DOI: 10.1107/S1600536811010117/jj2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII cations are coordinated by two terminal N-bonded thio\u00adcyanate anions (trans) and four pyridazine ligands in a slightly distorted octa\u00adhedral geometry. The discrete complexes are arranged into layers parallel to the ab plane which are separated by additional non-coordinated pyridazine ligands.The reaction of nickel(II) thio\u00adcyanate with an excess of pyridazine leads to single crystals of the title compound, [Ni(NCS) DOI: 10.1107/S1600536812023306/bt5930Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One independent dication is disordered between two conformations in a 0.784\u2005(13):0.216\u2005(13) ratio. In the crystal, inter\u00admolecular N\u2014H\u22efCl hydrogen bonds link cations and anions into chains propagated in [0II atom.The asymmetric unit of the title compound, [(CH DOI: 10.1107/S1600536810048749/cv2786Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, molecules are linked via pairs of N\u2014H\u22efO hydrogen bonds, forming inversion dimers. These dimers are further connected through \u03c0\u2013\u03c0 interactions between neighbouring quinoline rings [centroid\u2013centroid distance = 3.472\u2005(2)\u2005\u00c5], and stack along the c axis.In the title compound, [Co(C DOI: 10.1107/S1600536812011312/bg2451Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The aryl\u00adimido ligand is linked to an Mo atom of the Lindqvist-type hexamolybdate anion by an Mo\u00a0N triple bond, with a bond length of 1.732\u2005(4)\u2005\u00c5 and an Mo\u00a0N\u2014C bond angle of 169.1\u2005(4)\u00b0, typical for monodentate imido groups in such hybrid complexes. Due to the inter\u00adaction between one H atom in the aryl group and an O atom of a symmetry-related hexa\u00admolybdate cluster, the anions form centrosymmetric dimers in the crystal structure. Weak C\u2014H\u22efO contacts are observed between the cations and anions. Unresolved disorder in some of the butyl chains of the ammonium cation is noted.The title complex, [(C DOI: 10.1107/S1600536811036063/bh2377Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands connect the metal atoms, forming layers parallel to the ab plane. O\u2014H\u22efO hydrogen bonds further assemble adjacent layers into a three-dimensional supra\u00admolecular network.In the title coordination polymer, {[Dy(C DOI: 10.1107/S1600536810041784/rz2501Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Despite the presence of two very bulky ligands (COT\u2032\u2032 and DippForm), the mol\u00adecule still contains one coordinated THF ligand. The overall coordination geometry around the SmIII atom resembles a three-legged piano-stool with the COT\u2032\u2032 ligand being \u03b78-coordinated and the DippForm\u2212 anion acting as an N,N\u2032-chelating ligand [Sm\u2014N = 2.5555\u2005(15) and 2.4699\u2005(15)\u2005\u00c5]. The asymmetric unit also contains a disordered mol\u00adecule of toluene, the refined ratio of the two components being 0.80\u2005(4):0.20\u2005(4).The title compound, [Sm(C DOI: 10.1107/S1600536810048531/zs2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A free water mol\u00adecule assists in forming a three-dimensional network holding together the complexes via O\u2014H\u22efN, O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(NO DOI: 10.1107/S1600536811022367/vn2010Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These slabs are stacked along the c axis and linked via two different secondary contacts between Pr3+ and Br\u2212. The Pr3+ cations occupy the Wyckoff site 2c with 4mm symmetry and carry four O2\u2212 anions as well as four primary Br\u2212 anions, yielding a coordination number of 8. While the Br\u2212 anions exhibit the same site symmetry as the Pr3+ cations, the oxide anions are located at the Wyckoff position 2a with site symmetry m2 and have four Pr3+ cations as neighbours, defining a tetra\u00adhedron.The crystal structure of the praseodymium(III) oxide bromide, PrOBr, can be best described with layers of agglomerated square anti\u00adprisms [PrO DOI: 10.1107/S1600536811048227/fi2117Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonds link the moleclues into ribbons extended along [In the title mol\u00adecule, C DOI: 10.1107/S1600536811003680/cv5045Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The guanidinium cation (the C atom has site symmetry 3) and the octa\u00adhedral hexa\u00adaqua\u00adzinc(II) dication (the Zn2+ cation has site symmetry -3) are occupationally disordered in a 1.30:0.35 ratio. In the crystal, the components are linked by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds to generate infinite (001) sheets. Weak aromatic \u03c0\u2013\u03c0 stacking [centroid\u2013centroid distance = 3.797\u2005(8)\u2005\u00c5] is also observed in the crystal.In the title mol\u00adecular salt, (CH DOI: 10.1107/S160053681202987X/hb6768Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One CuII atom is coordinated by four water mol\u00adecules and two pyrazine-2-carboxamide ligands in a distorted O4N2 octa\u00adhedral geometry; the other is N,O-chelated by two pyrazine-2-carboxamide ligands and further coordinated by two sulfate anions in a distorted O4N2 octa\u00adhedral geometry. The pyrazine-2-carboxamide ligands bridge the CuII atoms to form a polymeric chain running along [110]. The crystal structure features N\u2014H\u22efO, O\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds.In the crystal of the title polymeric compound, [Cu DOI: 10.1107/S1600536812031844/xu5585Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "There is no significant inter\u00admolecular inter\u00adaction except very weak C\u2014H\u22efCl inter\u00adactions. The crystal studied was a racemic twin.In the crystal structure of title compound, [NiCl DOI: 10.1107/S1600536811021209/is2724Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn2+ cation is ligated by the N atoms of the tridentate L ligand and two chloride anions, forming a ZnN3Cl2 polyhedron with a distorted trigonal\u2013bipyramidal coordination geometry. In the crystal, nonclassical C\u2014H\u22efCl hydrogen bonds are observed.The title compound, [ZnCl MLX2 compounds , see: Bugarcic et al. ] = 0.026wR(F2) = 0.066S = 1.014711 reflections244 parametersH-atom parameters constrainedmax = 0.30 e \u00c5\u22123\u0394\u03c1min = \u22120.24 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812004862/wm2584Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure elucidation was undertaken due to its potential as a bidentate ligand for organometallic complexes. The oxathiane ring adopts the expected chair conformation, with the S atom in proximity to the N atom on the pyridine ring. The corresponding S\u2014C\u2014C\u2014N torsion angle is 69.07\u2005(14)\u00b0. In the crystal, mol\u00adecules aggregate as centrosymmetric pairs connected by pairs of C\u2014H\u22efN hydrogen bonds.The title compound, C DOI: 10.1107/S1600536812018661/nr2024Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018661/nr2024Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The 1,3-dioxane ring is in a slightly distorted boat conformation. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811026201/lh5270Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026201/lh5270Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IICuI 2(C5H3N2O2)2(CN)2(H2O)2]\u00b72H2O}n, the CuII atom lies on an inversion centre and is octa\u00adhedrally coordinated by two N atoms and two O atoms from opposing pyrazine-2-carboxyl\u00adate (2-pac) ligands and two water O atoms. The CuI atom has a triangular geometry, coordinated by one N atom and one C atom from two bridging cyanide ligands, and another N atom from the 2-pac ligand. The three-dimensional structure features a succession of two-dimensional sheets containing [Cu(CN)]n chains linked by Cu(2-pac)2(H2O)2 groups. The coordinated and free water mol\u00adecules are involved in an extended three-dimensional hydrogen-bond network with the 2-pac ligands.In the title compound, {[Cu For a r al. 2006. 3(C5H3N2O2)2(CN)2(H2O)2]\u00b72H2O = 0.029 wR(F 2) = 0.095 S = 0.99 1615 reflections145 parameters6 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.36 e \u00c5\u22123 \u0394\u03c1min = \u22120.36 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811019453/vn2007Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The overall coordination about the NiII atom is square-planar. The C and N atoms of the aza\u00adallyl group are sp 2-hybridized. The uneven Ni\u2014C and Ni\u2014N distances [2.045\u2005(5)/2.060\u2005(6) and 1.916\u2005(5)\u2005\u00c5] are influenced by a steric hindering effect from the nearby benzene ring.The title compound, [Ni(C DOI: 10.1107/S1600536811009469/jj2080Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pd\u22efI\u22efPd bridges are slightly asymmetric, with Pd\u2014I distances of 2.6709\u2005(6) and 2.7486\u2005(7)\u2005\u00c5. The metal atom has a slightly puckered square-planar CI2P environment, the largest deviation from the least-squares plane being 0.143\u2005(8)\u2005\u00c5.In the title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812047733/yk2076Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure is pseudocentrosymmetric; the absence of an inversion centre was proved by the Kurtz and Perry method showing a significant second harmonic generation (SHG) signal about ten times lower than that from potassium dihydrogenphosphate. The crystal structure exhibits alternating organic and inorganic layers parallel to the ab plane, which are stabilized by inter\u00admolecular N\u2014H\u22efCl inter\u00adactions.The title compound, (C DOI: Click here for additional data file.10.1107/S1600536813005096/vn2066Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813005096/vn2066Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the anions, the NiIII ions are surrounded by four S atoms in a distorted square-planar geometry. In the crystal, the anions exhibit two different packing modes by stacking along the a axis in face-to-face and side-by-side fashions. Inter\u00adionic C\u2014H\u22efS hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.6947\u2005(5)\u2005\u00c5] are observed.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811043522/rz2652Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one complete [Co(C10H6O2)(C18H18N4)]+ unit, one tetraphenylborate counter-anion and one acetone and one water mol\u00adecule that is located on an inversion centre. All the features of the CoIII ion are fully consistent with the formulation of the cation as a Co3+\u2013catecholate complex. Variable-temperature magnetic measurements in the region 2\u2013380\u2005K show a obvious diamagnetism over the observed temperature range. In the title salt, [Co(C DOI: 10.1107/S1600536812035210/hp2037Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each Mo atom bears two peroxide groups together with one O atom from the oxalate group in its equatorial positions and one terminal O atom as well as another O atom from the oxalate in axial positions. The oxalate group acts as a tetra\u00addentate bridging ligand and bridges between the diperoxidomolybdate units.A trimethyl\u00adphenyl\u00adammonium salt of a dinuclear \u03bc-oxalate complex of diperoxidomonomolybdate units, (C DOI: Click here for additional data file.10.1107/S1600536812045850/im2410Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C7H6F)2Cl2(C10H8N2)], shows a trans-C2SnN2Cl2 octa\u00adhedral coordination [C\u2014Sn\u2014C = 174.81\u2005(10) and 176.71\u2005(9)\u00b0 in the two independent mol\u00adecules in the asymmetric unit]; the Cl atoms are cis to each other as are the N atoms of the chelating N-heterocycle.The six-coordinate Sn DOI: 10.1107/S1600536811015686/bt5523Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the complex exhibits a chain structure parallel to the b axis.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536810054243/rz2544Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NH2CH2CHBrCH2Br ligand contains a chiral carbon atom. The Fe\u2014N bond length is 2.011\u2005(3)\u2005\u00c5 and the Fe\u2014Cp centroid distance is 1.7189\u2005(5)\u2005\u00c5. In the crystal, the ions are linked via two N\u2014H\u22efF inter\u00adactions and a weak N\u2014H\u22efBr inter\u00adaction.The title compound, [Fe(\u03b7 DOI: 10.1107/S1600536812025925/fj2567Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Both bidentate xanthate ligands coordinate the RuII atom with two slightly different Ru\u2014S bond lengths but with virtually equal bite angles [71.57\u2005(4) and 71.58\u2005(3)\u00b0]. The packing of the complexes is assured by C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Ru(CH DOI: 10.1107/S1600536813016735/vn2074Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the the crystal, N\u2014H\u22efO hydrogen bonding between the cations and the anionic chains consolidates the packing. The crystal structure was determined from an inversion twin with approximately equal twin domains.The structure of the title compound, (C DOI: 10.1107/S1600536812006927/fi2124Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination about the RuII atom can thus be considered octa\u00adhedral with slight trigonal distortion. The three C atoms of one of the acrylonitrile ligands are disordered over two sets of sites in a 0.581\u2005(13):0.419\u2005(13) ratio.In the title complex, [RuCl DOI: 10.1107/S1600536811035380/jh2321Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Although the results of the previous studies are comparable with our redetermination, all atoms were refined with anisotropic displacement parameters in the current study, and the resulting bond lengths are more accurate than those determined from powder diffraction data. The title compound adopts the Li3Fe2(PO4)3 structure type. The structure is composed of VO6 octa\u00adhedra and PO4 tetra\u00adhedra by sharing O atoms to form the three-dimensional anionic framework \u221e3[V2(PO4)3]3\u2212. The positions of the Li+ ions in the empty channels can vary depending on the synthetic conditions. Bond-valence-sum calculations showed structures that are similar to the results of the present study seem to be more stable compared with others. The classical charge balance of the title compound can be represented as [Li+]3[V3+]2[P5+]3[O2\u2212]12.The structure of Li DOI: Click here for additional data file.10.1107/S1600536813001499/wm2716Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure is stabilized by several weak C\u2014H\u22efO and C\u2014H\u22efCl hydrogen-bond inter\u00adactions. One of the phenyl rings is disordered over two almost equally occupied sites.The Pd atom in the title compound, [Pd(C Cl(C5H8N2)] = 0.029wR(F2) = 0.082S = 1.375113 reflections319 parametersH-atom parameters constrainedmax = 0.39 e \u00c5\u22123\u0394\u03c1min = \u22120.40 e \u00c5\u22123\u0394\u03c1CrysAlis CCD used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812003431/bt5799Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the meth\u00adoxy side chains of the ligand is disordered over two orientations in a 0.700\u2005(6):0.300\u2005(6) ratio.In the centrosymmetric title compound, [OsCl DOI: 10.1107/S1600536811048926/hb6479Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In comparison with the previous study based on single-crystal Weissenberg photographs [Jost n spreading parallel to the b axis with a repeat unit of four tetra\u00adhedra. The calculated bond-valence sum value of one of the two AgI ions indicates a significant strain of the structure.Single crystals of silver(I) polyphosphate(V), AgPOJost 1961. Acta Cr DOI: 10.1107/S1600536811003977/wm2454Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The butane-1,2,3,4-tetra\u00adcarboxyl\u00adate ligands lie on inversion centers and bridge SrII ions, forming a three-dimensional network. Within the three-dimensional structure, there are O\u2014H\u22efO hydrogen bonds involving the water mol\u00adecules and carboxyl\u00adate O atoms.In the title compound, [Sr DOI: 10.1107/S1600536811046265/lh5368Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each InO6 octa\u00adhedron shares its six apices with hydrogen phosphite groups. Reciprocally, each HPO3 group shares all its O atoms with three different metal cations, leading to [In(HPO3)2]\u2212 layers which propagate in the ab plane. The ammonium cation likewise has site symmetry 3m.. In the structure, the cations are located between the [In(HPO3)2]\u2212 layers of the host framework. The sheets are held together by hydrogen bonds formed between the NH4+ cations and the O atoms of the framework.The crystal structure of the title compound, NH DOI: Click here for additional data file.10.1107/S160053681300771X/ru2050Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the anionic chain, one tetra\u00adhedrally coordinated CoII atom (site symmetry 2) and two octa\u00adhedrally coordinated CoIII atoms are arranged alternately and are linked by \u03bc1,1-azide bridges. The anionic chains and cations are connected via N\u2014H\u22efN hydrogen bonding into a three-dimensional structure.The crystal structure of the title compound, poly[bis\u00ad(tri\u00admethyl\u00adammonium) hexa-\u03bc DOI: 10.1107/S1600536810049421/wm2430Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "J. Solid State Chem.148, 464\u2013467]. In the current redetermination from single-crystal X-ray data, all atoms were refined with anisotropic displacement parameters. The previous structure report is generally confirmed, but with some differences in bond lengths. Ba2CdTe3 is isotypic with Ba2MX3 and features 1\u221e[CdTe2/2Te2/1]4\u2212 chains of corner-sharing CdTe4 tetra\u00adhedra running parallel [010]. The two Ba2+ cations are located between the chains, both within distorted monocapped trigonal\u2013prismatic coordination polyhedra. All atoms in the structure are located on a mirror plane.The previous structure determination of the title compound, dibarium tritelluridocadmate, was based on powder X-ray diffraction data [Wang & DiSalvo 1999. J. Soli DOI: 10.1107/S1600536812038974/wm2681Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The layers lie across crystallographic mirror planes at y = 1/4 and 3/4. The Na, B and two F atoms reside on these mirror planes. The Na+ cations are six-coordinate. Two equatorial coordination positions are occupied by acetonitrile mol\u00adecules. The other two equatorial coordination sites are occupied by the chelating O atoms from the difluoro\u00adborate anion (DFOB\u2212). The axial coordination sites are occupied by two F atoms from two different DFOB\u2212 anions.The title compound, [Na(C DOI: 10.1107/S1600536811015091/sj5126Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked through N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, forming [100] chains of alternating hydrazone and methanol mol\u00adecules.In the title compound, C DOI: 10.1107/S1600536811029394/hb6324Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029394/hb6324Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average terminal and bridging Ge\u2014S bond lengths are 2.158\u2005(14) and 2.276\u2005(6)\u2005\u00c5, respectively. The anions and the diprotonated ammonium cations are organized into a three-dimensional network by N\u2014H\u22efS and N\u2014H\u22efN hydrogen bonds.In the title compound, (C DOI: 10.1107/S160053681200092X/hy2497Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure features C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title mol\u00adecule, C DOI: Click here for additional data file.10.1107/S1600536813004820/gk2553Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813004820/gk2553Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Cd atoms are each coordinated by six Cl atoms, with octa\u00adhedra linked by bridging, apical Cl atoms, forming linear chains running parallel to the a axis. The trimethylanilinium cations form stacks between the chains of CdCl6 octa\u00adhedra.The asymmetric unit of the title compound, {(C DOI: 10.1107/S1600536811028650/jh2312Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the ligand, the cyclo\u00adpenta\u00addienyl ring forms dihedral angles of 60.36\u2005(6) and 82.93\u2005(6)\u00b0 with the two benzene rings of the diphenyl\u00adphosphine group, while the dihedral angle between the benzene rings is 67.4\u2005(5)\u00b0.In the crystal structure of the title substituted ferrocene complex, [Fe(C DOI: 10.1107/S1600536812026293/zs2202Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812026293/zs2202Isup3.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812026293/zs2202Isup4.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carb\u00adoxy\u00admethyl and 2-(trifluoro\u00admeth\u00adyl)\u00adphenyl substituents of the pyrrolidine cycle have a cis mutual arrangement. The five-membered saturated aza\u00adcycle adopts an envelope conformation with the N atom occupying the flap position. In the crystal, adjacent mol\u00adecules are combined in centrosymmetric dimers by two weak N\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: Click here for additional data file.10.1107/S1600536812051471/ff2094Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812051471/ff2094Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Neighbouring pairs of CuII atoms are linked by four basally coordinating bridging acetate ligands as in the crystal structure of copper acetate monohydrate. The fifth, apically coordinating ligand links two of the dicopper tetra\u00adacetate paddlewheel-units together, thus building a linear coordination polymer which extends along [10-1]. Each apical acetate ligand is linked by an N\u2014H\u22efO hydrogen bond to a triethyl\u00adammonium cation. Weak C\u2014H\u22efO hydrogen bonding interactions also occur.In the title compound, {[(C DOI: 10.1107/S1600536812033405/hp2044Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812033405/hp2044Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the two independent Cl\u2212 counter-anions sits on a special position (site symmetry In the title complex, [CrCl DOI: 10.1107/S1600536811039328/wm2515Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811018228/rn2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the mol\u00adecule is located on an inversion center. The Mo atom is equally disordered over two positions; the range of Mo\u2014C distances is 2.2244\u2005(19)\u20132.3400\u2005(17)\u2005\u00c5 for both components of the disorder.The title compound, [Mo(C DOI: 10.1107/S1600536812002504/tk5041Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812002504/tk5041Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each of the two di\u00adammonium cations is located about an inversion center and one of them is disordered over two sets of sites in a 0.780\u2005(17):0.220\u2005(17) ratio. The ZnII atom has a slightly distorted tetra\u00adhedral coordination environment. The cations and anions are connected via N\u2014H\u22efCl hydrogen bonds into chains extending along [0-11].The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536813029802/gk2591Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The P atoms of the anions adopt a distorted tetra\u00adhedral geometry. In the crystal, inter\u00admolecular N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds link the cations and anions into a three-dimensional network.In the title compound, [Ni(C DOI: 10.1107/S1600536812029984/hy2566Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by N\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.576\u2005(5)\u2005\u00c5].The title salt, (C DOI: 10.1107/S1600536811024792/aa2014Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one MnII ion and two bipy ligands each located on a twofold rotation axis, as well as one thio\u00adcyanate anion and one diethyl ether mol\u00adecule in general positions. In the crystal structure, the metal centers with terminally bonded thicyanate anions are bridged by the bipy ligands into layers parallel to (001). The diethyl ether solvent mol\u00adecules occupy the voids of the structure.In the title compound, {[Mn(NCS) DOI: 10.1107/S1600536810021665/hy2314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each complex mol\u00adecule is linked to four neighboring ones by weak C\u2014H\u22efN and C\u2014H\u22efS hydrogen bonds, forming a two-dimensional sheet parallel to (001).In the mononuclear title complex, [Mn(NCS) DOI: 10.1107/S1600536810047112/hy2378Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, water O\u2014H\u22efCl and imidazole N\u2014H\u22efCl hydrogen bonds give rise to a three-dimensional structure.In the title compound, [Mg(C DOI: 10.1107/S1600536813021478/zs2271Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The benzoyl and aniline benzene rings are tilted relative to each other by 82.8 (1)\u00b0. In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into infinite chains running along the c-axis direction.In the title compound, C DOI: 10.1107/S1600536811041651/bt5668Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811041651/bt5668Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure features N\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into C(4) chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811045107/bt5692Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811045107/bt5692Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bipyridine ligands also lies on a twofold rotation axis and bridge the CoII ions, forming chains extending along [010]. An intra\u00adchain O\u2014H\u22efO hydrogen bond is observed.In the title compound, [Co(C DOI: 10.1107/S1600536811046149/lh5365Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efCl, C\u2014H\u22efO and C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distances = 3.7236\u2005(17) and 3.6026\u2005(19)\u2005\u00c5] stabilize the structure. Intra\u00admolecular C\u2014H\u22efO and C\u2014H\u22efCl hydrogen bonds are also present.In the title compound, [VClO(C DOI: 10.1107/S1600536812040251/hy2588Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The polyoxidoanion shows characteristic features with respect to bond lengths and angles. In the crystal structure, extensive inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonding between the organic cations, inorganic anions and solvent water mol\u00adecules leads to a three-dimensional supra\u00admolecular network.The asymmetric unit of the polyoxidometalate-based organic\u2013inorganic hybrid title compound, (C DOI: 10.1107/S1600536810028801/lh5078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three of the four bridging O atoms of the cube carry a fluorinated tert-butyl residue, whereas the fourth is part of an acetone mol\u00adecule. Two of the Li atoms are further bonded to a non-bridging acetone mol\u00adecule. Two of the lithium ion coordination geometries are very distorted LiO4 tetra\u00adhedra; the third could be described as a very distorted LiO3 T-shape with two distant F-atom neighbours. The Li\u22efLi contact distances for the three-coordinate Li+ ion [2.608\u2005(14) and 2.631\u2005(12)\u2005\u00c5] are much shorter that the contact distance [2.940\u2005(13)\u2005\u00c5] between the tetra\u00adhedrally coordinated species.The title compound, [Li DOI: 10.1107/S1600536810044685/hb5716Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one manganese(II) cation, located on a centre of inversion, as well as one seleno\u00adcyanate anion, one water mol\u00adecule and one pyrimidine ligand in general positions. The crystal structure consists of discrete building blocks of composition [Mn(NCSe)2(pyrimidine)2(H2O)2], which are connected into layers parallel to (101) by strong water\u2013pyrimidine O\u2014H\u22efN hydrogen bonds.In the crystal structure of the title compound, [Mn(NCSe) DOI: 10.1107/S1600536810028941/bv2144Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete solid-state structure can be described as a three-dimensional supra\u00admolecular framework stabilized by a wide range of O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds. The propyl groups of H2pimda\u2212 are disordered over two sets of sites with refined occupancies of 0.759\u2005(5):0.241\u2005(5) and 0.545\u2005(7):0.455\u2005(7).In the title complex, [Mn(C DOI: 10.1107/S1600536810031612/jh2190Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two L ligands are related by a centre of symmetry and bridge MnII ions, forming a positively charged polymeric chain in [101]. Uncoordinated nitrate anions further link these chains into layers parallel to the ac plane via O\u2014H\u22efO hydrogen bonds.In the title compound, {[Mn(C DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810047793/hg2742Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It exhibits a distorted octa\u00adhedral coordination, defined by two carboxyl\u00adate O atoms from two monodentate anions and by four O atoms from four methanol mol\u00adecules. The crystal structure comprises intra\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN, and inter\u00admolecular O\u2014H\u22efO hydrogen bonds. The latter help to construct a layered structure extending parallel to (100).In the title mononuclear complex, [Cd(C DOI: 10.1107/S1600536811015364/wm2478Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811015364/wm2478Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The RhI atom, the S- and O-donor atoms and the alkene centroids of the cyclo\u00adocta\u00addiene ligand do not deviate by more than 0.031\u2005\u00c5 from their least mean-squares plane.The title complex, [Rh(C DOI: 10.1107/S1600536812029753/wm2654Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, there are no identifiable directional inter\u00adactions between cations and anions except for Coulombic forces.In the title mol\u00adecular salt, (C DOI: 10.1107/S1600536812023008/hb6797Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each perchlorate anion links two mononuclear coordination units through C\u2014H\u22efO(perchlorate) hydrogen bonding, forming an infinite tape structure along [110]. Inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between adjacent pyridine and pyrazine rings [centroid\u2013centroid distances of 3.777\u2005(3) and 3.879\u2005(2)\u2005\u00c5] further assemble the tape motifs into a three-dimensional supra\u00admolecular structure. In the mononuclear title complex, [Ag(C DOI: 10.1107/S1600536811046708/ez2265Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent P6O18 rings are linked via corner-sharing by LiO4 tetra\u00adhedra, generating anionic porous {[Li2(P6O18)]4\u2212}n layers parallel to (101). The piperazine-1,4-diium cations occupy the pores and develop hydrogen bonds with the inorganic framework. An extensive network of N\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding inter\u00adactions link the components into a three-dimensional network and additional stabilization is provided by weak C\u2014H\u22efO hydrogen bonds.In the title compound, {(C DOI: Click here for additional data file.10.1107/S1600536813011756/pk2476Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the 3,3\u2032-diethyl-1,1\u2032-di(1H-imidazol-3-ium) cation, the dihedral angle between the imidazole rings is 49.3\u2005(1)\u00b0. In the [Ag2I4]2\u2212 anion, each AgI atom is bonded to three iodide anions, the two AgI atoms and two of the iodides forming Ag2I2 square-planar (r.m.s. deviation = 0.01\u2005\u00c5) units\u00b7The remaining two iodides, which are placed on opposite sides of the square, together with their centrosymmetric counterparts, link the square-planar Ag2I2 units into {[Ag2I4]2\u2212}n polymeric chains via Ag\u2014I bonds.The title compound, {(C DOI: 10.1107/S1600536812020715/lr2057Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cation is linked to the anion by an O\u2014H\u22efO hydrogen bond.The reaction of 2-methyl-8-hy\u00addroxy\u00adquinoline and zinc iodide in acetonitrile affords the title salt, (C DOI: 10.1107/S1600536811032351/lh5307Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The latter are built up by two [FY3]8+ triangles sharing a common edge. The four crystallographically independent Y3+ cations display coordination numbers of eight for one and of seven for the other three cations, provided by oxide and fluoride anions. The overall arrangement of the building blocks can be considered as layer-like parallel to the ac plane.In the crystal structure of Y DOI: 10.1107/S1600536813026391/wm2768Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Eight NdIII ions and 12 pda ligands form a large [Nd8(pda)12] ring, and four NdIII ions and six pda ligands form a small [Nd4(pda)6] ring. These rings are further connected by the coordination inter\u00adactions of pda ligands and NdIII, generating a three-dimensional supra\u00admolecular framework.In the title coordination polymer, [Nd DOI: 10.1107/S1600536811006817/wm2461Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular C\u2014H\u22efO hydrogen bonds and inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings [centroid\u2013centroid distances = 3.637\u2005(4) and 3.818\u2005(4)\u2005\u00c5] are present in the crystal structure.In the title compound, [ZnI DOI: 10.1107/S1600536810046763/hy2375Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In L, the pyridine and pyrimidine rings are twisted at an angle of 11.2\u2005(1)\u00b0. The coordinated water mol\u00adecules and the acetate groups are involved in the formation of a three-dimensional hydrogen-bonded network, which consolidates the crystal packing.In the title compound, [Zn(C DOI: 10.1107/S160053681102993X/cv5136Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, there are short Cl\u22efCl distances of 3.506\u2005(1) and 3.350\u2005(1)\u2005\u00c5.In the title compound, [Ni(C DOI: 10.1107/S160053681104325X/lh5353Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular C\u2014H\u22efO hydrogen bonds link mol\u00adecules into zigzag chains running parallel to the c axis. The C atoms of two isopropyl groups are disordered over two sets of sites with occupancy ratios of 0.858\u2005(9):0.142\u2005(9) and 0.61\u2005(5):0.39\u2005(5).In the title compound, C DOI: 10.1107/S160053681101885X/rz2600Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S160053681101885X/rz2600Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II(C2H8N2)3]Cl2, was obtained unexpectedly as the product of an attempted solvothermal synthesis of cobalt selenide from the elements in the presence of NH4Cl in ethyl\u00adenedi\u00adamine solvent. The three chelate rings of the distorted octa\u00adhedral [Co(C2H8N2)3]2+ complex cation adopt twisted conformations about their C\u2014C bonds. The spread of cis-N\u2014Co\u2014N bond angles [80.17\u2005(6)\u201398.10\u2005(6)\u00b0] in the title compound is considerably greater than the equivalent data for [CoIII(C2H8N2)3]Cl3 . In the crystal, the components are linked by numerous N\u2014H\u22efCl hydrogen bonds, generating a three-dimensional network in which the cationic complexes are stacked in columns along [010] and separated by columns of chloride anions.The title compound, [Co al. 2008. Angew. III\u2013tris-ethyl\u00adenedi\u00adamine complex with chloride counter-anions has been reported by Takamizawa et al. 3]Cl2 = 0.024wR(F2) = 0.059S = 1.062700 reflections232 parametersAll H-atom parameters refinedmax = 0.26 e \u00c5\u22123\u0394\u03c1min = \u22120.37 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: Click here for additional data file.10.1107/S1600536813013135/hb7079Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "This benzyl group is tethered to the P atom at the apex of the pyramid, thereby forming a five-membered chelated Co\u2014C\u2014C\u2014C\u2014P ring.In the title compound, [Co(C For oth al. 2009. For syn al. 2009. 20H18P)I(C3H9P)2] = 0.046 wR(F 2) = 0.126 S = 1.02 5010 reflections280 parametersH-atom parameters constrainedmax = 0.77 e \u00c5\u22123 \u0394\u03c1min = \u22120.84 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811022288/pk2321Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions are completed by crystallographic inversion symmetry associated with the central PtII ion. The PtII ion is doubly S,S\u2032-chelated by two symmetry-related phenyl\u00adsulfonyl\u00addithio\u00adcarbimate ligands, forming a slightly distorted square-planar configuration. Besides the electrostatic attraction between oppositely charged ions in the crystal packing, intra\u00admolecular C\u2014H\u22efO and several inter\u00admolecular C\u2014H\u22efO, C\u2014H\u22efN and O\u2014H\u22efO hydrogen-bonding inter\u00adactions between the cations, anions and water mol\u00adecules are observed.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810027364/wm2374Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two CuII atoms are separated by 2.6850\u2005(7)\u2005\u00c5, and together with the four formate ligands they form a paddle-wheel unit. The hexa\u00admine ligand uses only two of its four N atoms to link Cu2 cluster units, affording a zigzag chain running along the b-axis direction. The hexa\u00admine ligand lies on a mirror plane.In the title polymeric compound, [Cu DOI: 10.1107/S160053681303184X/ng5345Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S160053681303184X/ng5345Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Extensive O\u2014H\u22efO hydrogen bonding connects the mol\u00adecules into a three-dimensional supra\u00admolecular structure.In the centrosymmetric binuclear title compound, [Ni DOI: 10.1107/S1600536810049718/ds2071Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four Cd\u2014X bond lengths are in the range 2.166\u2005(4)\u20132.513\u2005(4)\u2005\u00c5.In the crystal structure of the title compound, [Cd(C DOI: 10.1107/S1600536812001079/nc2262Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pyridyl ring is twisted by 9.4\u2005(2)\u00b0 with respect to the triazole ring, which is oriented at approximately right angles [84.66\u2005(8)\u00b0] with respect to the phenyl ring.In the title complex, [CuCl DOI: 10.1107/S160053681103296X/pv2432Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, six ferrocenyl\u00adphospho\u00adnic acid mol\u00adecules are connected by 12 strong inter\u00admolecular O\u2014H\u22efO hydrogen bonds, leading to the formation of a highly distorted octa\u00adhedral cage. The volume of the octa\u00adhedral cage is about 270\u2005\u00c53.In the title compound, [Fe(C DOI: 10.1107/S1600536811027206/hy2442Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure packs through C\u2014H\u22efBr inter\u00adactions, forming a hydrogen-bonded ladder. There are also strong hydrogen-bonding inter\u00adactions between two of the O atoms of the \u03b2-diketonate ligands and two H atoms on the pyridine ring of the Schiff base ligand.The title compound, [Ni(C DOI: 10.1107/S1600536811005599/zb2010Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is an intra\u00admolecular O\u2014H\u22efO hydrogen bond involving the oxime units of the two ligands. In the crystal, a three-dimensional supra\u00admolecular architecture is formed by O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds.In the title complex, [Ni(C DOI: 10.1107/S1600536812024622/su2441Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuI atom is coordinated by two N atoms from a 2,2\u2032-bipyridine ligand and two P atoms from an N,N,N\u2032,N\u2032-tetra\u00adkis\u00ad[(diphenyl\u00adphos\u00adphan\u00adyl)meth\u00adyl]benzene-1,4-diamine ligand in a distorted tetra\u00adhedral geometry. In the crystal, inter\u00admolecular C\u2014H\u22efF hydrogen bonds link the ions into layers parallel to [In the title compound, [Cu DOI: 10.1107/S1600536811029333/rz2624Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each molecule has essentially the same feature of non-coplanar aromatic rings whereby the two 4-isopropoxybenzoyl groups are twisted in a perpendicular manner to the naphthalene ring and oriented in the same direction (syn-orientation). The benzene rings of the aroyl groups make dihedral angles of 16.13\u2005(7) and 25.31\u2005(7)\u00b0 in the two molecules. These benzene rings make dihedral angles of 88.38\u2005(8) and 75.32\u2005(7)\u00b0 with the naphthalene ring system in one molecule, and 89.71\u2005(7) and 82.11\u2005(7)\u00b0 in the other. In the crystal, mol\u00adecules are linked via C\u2014H\u22efO hydrogen bonds, forming a three-dimensional network. In one independent molecule, the 2-propyl groups of both isoprop\u00adoxy groups are disordered over two positions with site occupancies of 0.512\u2005(3) and 0.488\u2005(3).The title compound, C DOI: Click here for additional data file.10.1107/S1600536813004959/su2564Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813004959/su2564Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In (Ia), double N 1:N 2-bridging admt ligands connect two ZnII atoms, forming a dimer with a Zn2(admt)2 six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N 1-coordination modes. Weak N\u2014H\u22efN, N\u2014H\u22efS and C\u2014H\u22efS hydrogen bonds play an important role in the inter\u00admolecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57\u2005(3):0.43\u2005(3) and 0.63\u2005(3):0.37\u2005(3), respectively.In the crystal structure of the title 1:2 adduct, [Zn DOI: 10.1107/S1600536811027887/zq2110Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distorted six-coordination is completed by two tin-bound methyl C atoms. The C2N2O2 donor set defines a skewed trapezoidal\u2013bipyramidal geometry. Inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions between the pyrazine rings [centroid\u2013centroid distance = 3.8112\u2005(13)\u2005\u00c5] are observed.In the title compound, [Sn(CH DOI: Click here for additional data file.10.1107/S160053681204295X/hy2594Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "It exhibits a distorted tetra\u00adhedral coordination environment defined by two S atoms of two tetra\u00admethyl\u00adthio\u00adurea (tmtu) ligands and two bromide ions. The crystal structure is consolidated by C\u2014H\u22efN and C\u2014H\u22efS hydrogen bonds.In the title compound, [CdBr DOI: 10.1107/S1600536810028102/wm2371Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carbonyl O atoms of two of the four acetate groups in the molecule are disordered over two sites with occupancy ratios of 0.59\u2005(4):0.41\u2005(4) and 0.57\u2005(6):0.43\u2005(6). Crystal packing is effected via inter\u00admolecular O\u2014H\u22efO hydrogen bonds, which link the tetra\u00adacetate mol\u00adecules into tapes along the c axis.The title compound, C DOI: 10.1107/S1600536810044314/pb2046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion lies on an inversion centre and displays a slightly distorted NiN4 square-planar chelation arrangement with four N atoms from the Me6[14]dieneN4 macrocycle. Two S atoms from symmetry-related anions are located in pseudo-axial positions with respect to the NiII ion, with Ni\u22efS distances of 3.2991\u2005(7)\u2005\u00c5. Inter\u00admolecular N\u2014H\u22efS and C\u2014H\u22efS hydrogen bonds link the complex cation and pair of anions into a 1:2 type salt.The title salt, [Ni(C DOI: 10.1107/S1600536810049615/pv2360Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds link the cations and anions into a three-dimensional framework.In the title compound, (C DOI: 10.1107/S1600536811015546/ci5184Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex consists of two six-membered trinuclear Cu3S3I3 cores that combine through triply bridging Metu, forming a hexa\u00adnuclear core which has -3 symmetry. The CuII atom is coordinated by three S atoms of Metu and one iodide ion in a distorted tetra\u00adhedral geometry. The crystal structure is stabilized by N\u2014H\u22efI hydrogen bonds and cuprophilic inter\u00adactions [Cu\u22efCu = 3.0264\u2005(9)\u2005\u00c5].The title compound, [Cu DOI: Click here for additional data file.10.1107/S1600536812043437/rz5016Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligand shows a non-planar configuration, in which the dihedral angles between the two terminal pyridine rings and the linking benzene ring are 7.86\u2005(12) and 70.74\u2005(11)\u00b0. The flexible ligand coordinates to the ZnII ions, generating an infinite chain propagating along [001].In the title compound, [ZnCl DOI: 10.1107/S1600536811035963/fj2447Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is composed of a bidentate coordinated 3,4,5-trioxocyclo\u00adpent-1-ene-1,2-dithiol\u00adate (dtcroc) group forming a distorted tetra\u00adhedral configuration around the CdII ion. The dihedral angle between the least-squares planes of the ten-atom sulfur-substituted croconate groups in the anion is 84.10\u2005(8)\u00b0. The crystal packing is stabilized by weak C\u2014H\u22efO and C\u2014H\u22efS cation\u2013anion hydrogen-bond inter\u00adactions. In each of the two cations one butyl group is disordered over two positions in the ratios 0.589\u2005(11):0.411\u2005(11) and 0.796\u2005(12):0.204\u2005(12).The title compound, (C DOI: 10.1107/S1600536810049913/jj2066Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [Mn(NCS)2(C14H13NO2)2], lies on a center of inversion in a MnO4N2 octa\u00adhedral geometry. The Schiff base is present in its zwitterionic form and is O,O\u2032-chelated to the metal atom. The imino N atom is protonated and is involved in an intra\u00admolecular hydrogen bond with the phenolate O atom.The Mn DOI: 10.1107/S1600536811009330/ng5130Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two phenyl rings is 32.83\u2005(15)\u00b0. The protonated 1,1\u2032-[bis\u00ad(meth\u00adyl\u00adene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl4]2\u2212 anions into an R 4 4(42) motif via N\u2014H\u22efCl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811047374/hy2485Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry is defined by three N-atom donors from the tridentate 2-(pyridin-2-yl)-N-(pyridin-2-yl\u00admethyl\u00adidene)ethanamine ligand and two terminal Cl atoms. Although the H atoms of the lattice water molecule were not located, O\u22efO distances of 3.103\u2005(7)\u2005\u00c5 and O\u22efCl distances of 3.240\u2005(3) and 3.482\u2005(4)\u2005\u00c5 suggest that hydrogen bonding is responsible for the stabilization of the crystal packing.In the title complex, [MnCl DOI: 10.1107/S1600536812037877/fk2065Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "An intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs. The hy\u00addroxy group is hydrogen bonded to the double-bond S atom of an inversion-related mol\u00adecule, generating a hydrogen-bonded dimer in the crystal structure.In the title compound, C DOI: 10.1107/S1600536811012736/xu5185Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bis\u00ad(diphenyl\u00adphosphan\u00adyl)methane ligand bridges two Re atoms. Neglecting the Re\u2014Re inter\u00adactions, each Re atom is in a slightly distorted octa\u00adhedral coordination environment. The dichloro\u00admethane solvent mol\u00adecule is disordered over two sets of sites with fixed occupancies of 0.6 and 0.4.In the title compound, [Re For rel al. 1993. For the al. 1993. 3H3(C25H22P2)(CO)10]\u00b7CH2Cl2 = 0.032 wR(F 2) = 0.081 S = 1.06 8540 reflections472 parameters42 restraintsH-atom parameters constrainedmax = 3.82 e \u00c5\u22123 \u0394\u03c1min = \u22122.54 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811049312/lh5374Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811049312/lh5374Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "With respect to the two N atoms, the chloride ion and the centroid of the Cp* ring, the tantalum coordination geometry is approximately tetra\u00adhedral. The lithium cation is bonded to both the 2-tert-butyl\u00adphenyl\u00adimide dianions and also a diethyl ether mol\u00adecule, in an approximate trigonal planar arrangement. The Ta\u22efLi separation is 2.681\u2005(15)\u2005\u00c5. In the crystal, a weak C\u2014H\u22efCl inter\u00adaction links the mol\u00adecules. When compared to the 2,6-diisopropyl\u00adphenyl\u00adimide analogue (\u2018the Wigley derivative\u2019) of the title compound, the two structures are conformationally matched with an overall r.m.s. difference of 0.461\u00c5.In the title compound, [LiTa(C DOI: 10.1107/S1600536811015650/hb5832Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked by O\u2014H\u22efO and O\u2014H\u22efBr hydrogen bonds.In the title hydrated mol\u00adecular salt, [Mg(H DOI: 10.1107/S1600536810053717/hb5780Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each PrIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, one bidentate carboxyl\u00adate group and four bridging carboxyl\u00adate groups in a distorted PrN2O7 monocapped square-anti\u00adprismatic geometry. The title compound is isotypic with its terbium- and dysprosium-containing analogues.In the centrosymmetric binuclear title complex, [Pr DOI: 10.1107/S1600536811034702/hb6378Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A terminal Br atom and a bidentate chelating 4,7-diphenyl-1,10-phenanthroline ligand complete a square-pyramidal geometry for the CdII atom. In the crystal, C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 contacts between the pyridine and phenyl rings [centroid\u2013centroid distances = 3.704\u2005(4) and 3.715\u2005(4)\u2005\u00c5] lead to a three-dimensional supra\u00admolecular structure.The title compound, [Cd DOI: Click here for additional data file.10.1107/S1600536812045928/hy2601Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efBr hydrogen bonds link the N,N-di\u00admethyl\u00adanilinium cations and both Br\u2212 anions and [SnBr6]2\u2212 dianions into a layered arrangement parallel to (001). In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813012403/nk2205Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813012403/nk2205Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The orientation of the mol\u00adecules in the ortho\u00adrhom\u00adbic cell shows that the structure can not be described in the space group Pnma, which has the same systematic absence conditions. The long inner-cluster C\u2014C distance of 1.510\u2005(5)\u2005\u00c5 is typical for {1,2-Me2-closo-1,2-C2B10} derivatives. The asymmetric unit of the title compound, C DOI: 10.1107/S1600536810022440/si2268Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mid-point of the benzene ring of the ligand lies on a center of inversion. There are no classical hydrogen-bonding inter\u00adactions present.The heterocylic ligand of the polymeric title compound, [CdI For the synthesis of the ligand, see: Trofimenko 1970. 2(C22H30N4)] = 0.054 wR(F 2) = 0.134 S = 1.18 2951 reflections137 parametersH-atom parameters constrainedmax = 1.12 e \u00c5\u22123 \u0394\u03c1min = \u22120.74 e \u00c5\u22123 \u0394\u03c1 CrystalClear used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811025797/wm2507Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N atom of the ammonium cation lies on a twofold rotation axis and the centre of mass of the terephthalate anion is on a centre of inversion. In the crystal, the centrosymmetric terephthalate ions are linked by a very short symmetric O\u2014H\u22efO hydrogen bond [O\u22efO = 2.4610\u2005(19)\u2005\u00c5] into a one-dimensional polymeric chain along [1-12]. The tetra\u00admethyl\u00adammonium cations and terephthalate anions are then connected through a pair of bifurcated acceptor C\u2014H\u22efO hydrogen bonds, generating a three-dimensional supra\u00admolecular network. The carboxyl\u00adate groups at both ends of the terephthalate anion are charge-shared with an equal probability of 0.5.The asymmetric unit of the title salt, C DOI: 10.1107/S1600536812039487/bg2478Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812039487/bg2478Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The resulting cationic complex, the 3-methyl\u00adbenzoate anion and the hydrate water mol\u00adecule are inter\u00adconnected by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, [Pd(C DOI: 10.1107/S1600536810028370/bt5291Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three phenyl rings make dihedral angles of 38.33\u2005(14), 81.26\u2005(15) and 81.28\u2005(14)\u00b0 with each other. In the crystal, mol\u00adecules are linked into chains along the b axis by inter\u00admolecular C\u2014H\u22efCl hydrogen bonds.In the title compound, [AuCl(C DOI: 10.1107/S1600536810045071/is2625Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The six-membered chelate ring is essentially planar (r.m.s. deviation = 0.0378\u2005\u00c5) and forms a dihedral angle of 31.67\u2005(11)\u00b0 with the phenyl ring.In the title complex mol\u00adecule, [Rh(C DOI: 10.1107/S160053681002667X/gk2290Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure exhibits a three-dimensional supra\u00admolecular structure composed of alternate Zn(C8H3O4Cl)(C12H12N2) and Zn(C8H3O4Cl)(C12H12N2)(H2O) chains, which are linked together by face-to-face \u03c0\u2013\u03c0 inter\u00adactions [shortest centroid\u2013centroid distances of 3.661\u2005(4) and 3.6901\u2005(3)\u2005\u00c5], O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, {[Zn(C DOI: 10.1107/S1600536812014006/zq2156Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure is based on hydro\u00adcarbon (dodecyl sulfate) layers which sandwich the CaII ions. Within the layers, the hydro\u00adcarbon zigzag chains are parallel to one another and inter\u00adact via van der Waals forces.In the title compound [Ca(C DOI: 10.1107/S1600536810020659/lh5055Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Within the hydrogensulfate ion, the S\u2014O(H) bond is the longest of the S\u2014O bonds. The dihedral angle between the central and terminal ring of the cation is 78.6\u2005(2)\u00b0. In the crystal, the cation, anion and water mol\u00adecule inter\u00adact by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, generating a three-dimensional network.The cation of the title salt, C DOI: 10.1107/S1600536810047999/si2312Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The compound has crystallographic mirror symmetry with both the cation and the tetrahedral anion located across a mirror plane. The cation and anion are linked by a C\u2014H\u22efO hydrogen bond.The title compound, (C DOI: 10.1107/S1600536811050677/ez2273Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050677/ez2273Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All of the CuII atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octa\u00adhedral geometry with N2O4 and N4O2 environments for the outer and central CuII atoms, respectively. Various inter\u00adactions, including numerous O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and C\u2014O\u22ef\u03c0 stacking of the pyridine and carboxyl\u00adate groups [O\u22efcentroid distances = 3.669\u2005(2) and 3.668\u2005(2)\u2005\u00c5] are observed in the crystal structure. The title compound, [Cu DOI: 10.1107/S1600536812022039/qm2066Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Zn2+ cation is coordinated in a quite regular tetra\u00adhedral geometry by O atoms from three phosphate groups and a tertiary N atom from the triazole ring. Each phosphate anion is connected to three ZnII cations, leading to a series of corrugated organic\u2013inorganic layers parallel to the ac plane. The overall structure involves stacking of complex hybrid organic\u2013inorganic layers along the b axis. Cohesion in the crystal is ensured by an infinite three-dimensional network of N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds between the phosphate groups and the triazole ligands.The asymmetric unit of the title compound, [Zn(HPO DOI: Click here for additional data file.10.1107/S1600536812044182/sj5276Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Weak C\u2014H\u22efN and C\u2014H\u22efS hydrogen bonds between the 1-ethyl-4,4\u2032-bipyridin-1-ium cations and mnt anions and weak \u03c0\u2013\u03c0 inter\u00adactions between the pyridine rings of the cations [centroid\u2013centroid distances = 3.808\u2005(3) and 3.972\u2005(3)\u2005\u00c5] lead to a two-dimensional network parallel to (010).In the anion of the title compound, (C DOI: 10.1107/S1600536813015493/hy2630Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Important geometrical parameters include Au\u2014P = 2.2321\u2005(13)\u2005\u00c5, Au\u2014Cl = 2.2820\u2005(13)\u2005\u00c5 and P\u2014Au\u2014Cl = 176.49\u2005(5)\u00b0. The furan ring is disordered over two positions in a 0.51\u2005(2):0.49\u2005(2) ratio.In the title complex, [AuCl(C DOI: Click here for additional data file.10.1107/S1600536812050404/yk2081Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pyridine and tetra\u00adzole rings are nearly coplanar, forming a dihedral angle of 4.63\u2005(3)\u00b0. The complex cations, zwitterionic organic anions, Cl\u2212 anions and uncoordinated water mol\u00adecules are connected by O\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efCl hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Mg(H DOI: 10.1107/S160053681105032X/hy2489Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination around the RuII atom can thus be considered as octa\u00adhedral with slight trigonal distortion.In the title complex, [RuCl DOI: 10.1107/S1600536811035379/im2311Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The naphthalene-1,5-disulfonate dianion, which lies on a center of inversion, is connected to four PbII atoms. The bridging modes of the monoanion and dianion give rise to a three-dimensional coordination polymer. The PbII atom is eight-coordinate in the form of an undefined coordination polyhedron.In the polymeric title complex, [Pb DOI: 10.1107/S160053681201834X/xu5522Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Weak C\u2014H\u22efN inter\u00adactions contribute to the crystal packing stability.The structure of the title compound, [Mn(NCS) DOI: 10.1107/S1600536811051282/hg5141Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051282/hg5141Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two hydrogen bonds stabilize the Lewis acid/base pair of the nitro\u00adnate and the guanidinium moiety with N\u22efO distances of 2.772\u2005(3) and 2.732\u2005(3)\u2005\u00c5. Both hydrogen atoms are more closely bound to the guanidinium [N\u2014H distances of 0.83\u2005(3) and 0.93\u2005(3)\u2005\u00c5] than to the nitro\u00adnate moiety. The nitro\u00adnate is double-bonded to the respective carbon with an N=C bond length of 1.316\u2005(3)\u2005\u00c5.The title compound, C DOI: 10.1107/S1600536811033927/nk2105Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033927/nk2105Isup3.mol Supplementary material file. DOI: 10.1107/S1600536811033927/nk2105Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The angles between the mean planes of the pyrrolo-indole ring and the phenyl\u00adsulfonyl and p-toluene\u00adsulfonyl rings are 73.7\u2005(6) and 80.6\u2005(0)\u00b0, respectively. The dihedral angle between the mean planes of the two benzene rings is 78.7\u2005(4)\u00b0. In the crystal, both classical N\u2014H\u22efO and non-classical C\u2014H\u22efO inter\u00admolecular hydrogen-bonding inter\u00adactions are observed, as well as weak \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.6258\u2005(8) and 3.9298\u2005(8)\u2005\u00c5], which contribute to the stability of the packing.The title compound, C DOI: 10.1107/S1600536810039425/fl2319Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Cp rings of the [3]ferrocenophane moiety are aligned at a dihedral angle of 8.9\u2005(4)\u00b0 arising from the strain of the propane-1,3-diyl bridge linking the two Cp rings. [One methyl\u00adene group is disordered over two positions with a site-occupation factor of 0.552\u2005(18) for the major occupied site.] The dihedral angles between the Cp rings at the two Zr atoms are 50.0\u2005(3) and 51.7\u2005(3)\u00b0. The bonding Zr\u22efH distances are in the range 1.89\u2005(7)\u20132.14\u2005(7)\u2005\u00c5. As the two Cp rings of the ferrocene unit are connected by an ansa bridge, the two Zr atoms approach each other at 6.485\u2005(1)\u2005\u00c5. The crystal packing features C\u2014H\u22efCl inter\u00adactions.The title compound, [FeZr DOI: 10.1107/S1600536813023933/ng5341Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination of one Al atom includes three methyl-C atoms and the O atom from the ligand, whereas the second Al atom is surrounded by the O atom and one N atom from the ligand as well as by two methyl-C atoms. In the ligand, the dihedral angle between the two phenyl rings in the 9,10-dihydro\u00adphenanthren unit is 20.64\u2005(12)\u00b0.The two Al atoms in the title compound, [Al DOI: 10.1107/S1600536811036312/wm2522Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the three triazol groups in each ttmb ligand link the ZnII atoms, forming a looped-chain structure along [0-11]. The lattice water molecule shows half-occupancy due to disorder around an inversion centre.In the title complex, {[Zn(NCS) DOI: 10.1107/S1600536812039256/ds2211Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ErIII ion is eight-coordinated by four O atoms from bridging L 2\u2212, one O atom from HL \u2212, one O atom from the coordinated water and two N atoms from a phen ligand. Extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions result in the formation of chains which are further linked into a layer-like network by \u03c0\u2013\u03c0 stacking inter\u00adactions centroid\u2013centroid distance = 3.611\u2005(3)\u2005\u00c5] between adjacent phen ligands belonging to neighbouring chains. The carboxy group of the HL \u2212 ligand is equally disordered over two positions.The asymmetric unit of the binuclear centrosymmetric title compound, [Er DOI: 10.1107/S1600536811023075/jh2296Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of two crystallographically independent formula units. The [Li(NH3)4]+ cations are close to regular LiN4 tetra\u00adhedra. The anions contain LiSN3 tetra\u00adhedra; the S\u2014S\u2014S bond angles are 110.43\u2005(5) and 109.53\u2005(5)\u00b0. In the crystal, the components are linked by multiple N\u2014H\u22efS hydrogen bonds. A weak N\u2014H\u22efN hydrogen bond is also present.The title compound, [Li(NH DOI: Click here for additional data file.10.1107/S1600536812043863/hb6966Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the components are linked by O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and weak aromatic \u03c0\u2013\u03c0 stacking [shortest centroid\u2013centroid separation = 3.778\u2005(2)\u2005\u00c5] inter\u00adactions. (001) layers of alternating organic cations and complex inorganic anions are apparent.In the title compound, (C DOI: 10.1107/S1600536814002530/hb7194Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The asymmetric unit contains two crystallographically independent bis\u00admuth metal atoms, one of which lies on an inversion centre and the other on a twofold axis. In the crystal, the polymeric chains and cations are linked by N\u2014H\u22efCl hydrogen bonds, forming undulating layers parallel to (110).The title organic-inorganic hybrid compound, {(C DOI: 10.1107/S1600536813018102/rz5076Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The 3,4-dihy\u00addroxy\u00adbenzoate anion is approximately planar, with a maximum deviation of 0.083\u2005(2)\u2005\u00c5.In the structure of the title compound, C DOI: 10.1107/S1600536810046441/zl2325Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is composed of infinite double MoFeO11 chains along the b-axis direction linked by corner-sharing to MoO4 tetra\u00adhedra so as to form Fe2Mo3O19 ribbons. The cohesion between ribbons via mixed Mo\u2014O\u2014Fe bridges leads to layers arranged parallel to the bc plane. Adjacent layers are linked by corners shared between MoO4 tetra\u00adhedra of one layer and FeO6 octa\u00adhedra of the other layer. The Na+ and Li+ ions partially occupy the same general position, with a site-occupancy ratio of 0.631\u2005(9):0.369\u2005(1). A comparison is made with AFe(MoO4)2 structures.The title compound, lithium/sodium iron(III) bis\u00ad[ortho\u00admolyb\u00addate(VI)], was obtained by a solid-state reaction. The main structure units are an FeO DOI: 10.1107/S1600536814000646/vn2079Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "Each CoII atom is coordinated by four O atoms in a distorted square-planar arrangement while the N atoms are located in apical positions. The dihedral angles between the rings comprising each of the 4,4\u2032-bipyridyl ligands are 25.2\u2005(2) and 22.8\u2005(2)\u00b0. In the crystal, the three-dimensional network is assembled by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, [Co DOI: 10.1107/S1600536813033357/mw2119Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The title compound is isotypic with Co3TiO2(BO3)2. In contrast to the previous refinement of warwickite into a framework structure by sharing common edges. The B atoms are located in the triangular prismatic tunnels of the framework.Single crystals of warwickite, trimagnesium titanium(IV) dioxide bis\u00ad(borate), Mgraki 1974. Am. Min DOI: 10.1107/S1600536811002157/wm2443Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is isotypic with [CdBr2(C4H5N3O)2] . There are two inter\u00adligand N\u2014H\u22efBr hydrogen bonds, generating two hydrogen-bonded rings stabilizing the coordination sphere. The complex aggregates, forming supra\u00admolecular chains, sheets and staircases through N\u2014H\u22efO and N\u2014H\u22efBr hydrogen bonding and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.616\u2005(2)\u2005\u00c5].In the title complex, [ZnBr DOI: 10.1107/S1600536810049305/hg2756Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efO, N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds link the complex cations and nitrate anions into a three-dimensional network. \u03c0\u2013\u03c0 inter\u00adactions between the thia\u00adzole and imidazole rings and between the thia\u00adzole and benzene rings are observed [centroid\u2013centroid distances = 3.592\u2005(3) and 3.735\u2005(3)\u2005\u00c5].In the title compound, [NiCl(C DOI: 10.1107/S1600536812029728/hy2553Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The central Cl atom of the Ba6Cl9 cluster is located on a threefold inversion axis and is coordinated octa\u00adhedrally to six barium cations. In the crystal, the clusters are arranged in rows, which are inter\u00adconnected by the DMSO mol\u00adecules, forming a three-dimensional network.The title compound, [BaCl DOI: Click here for additional data file.10.1107/S160053681204069X/hg5254Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The six-coordinate metal atom displays a distorted octa\u00adhedral geometry.In the crystal structure of the title compound, [Ir(C DOI: 10.1107/S1600536811034222/si2371Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains two crystallographically independent mol\u00adecules. In each one, the RuII atom is six-coordinated in a distorted octa\u00adhedral geometry by five N atoms from an htpb ligand, an azide ligand and a benzonitrile ligand and one P atom from a triphenyl\u00adphosphine (tpp) ligand. The azide group is almost linear and is coordinated to Ru with an average Ru\u2014N\u2014N angle of 124.9\u2005(3)\u00b0.Facile ligand substitution is observed when the ruthenium\u2013azide complex, [RuN DOI: 10.1107/S1600536810021513/hy2311Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the CN2 and AlC2 planes is 85.37\u2005(2)\u00b0. The two N atoms of the guanidinato ligand exhibit an almost uniform affinity to the metal atom.In the crystal structure of the title complex, [Al(CH DOI: 10.1107/S1600536810046787/jh2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the planes of the pyrazlole rings in the asymmetric unit is 74.4\u2005(3)\u00b0. The hexa\u00adfluoridosilicate dianion acts as a bridging ligand, connecting the CuII atoms into a [1-10] chain. The Cu and Si atoms lie on special positions with 2/m site symmetry. In the crystal, intra\u00adchain N\u2014H\u22efF hydrogen bonds occur and weak C\u2014H\u22efF inter\u00adactions link the chains.In the title one-dimensional coordination polymer, [Cu(SiF DOI: 10.1107/S1600536812009531/hb6651Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536813019570/lr2111Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoIII atom is coordinated by a methyl group, an N-bonded pyridine and two N,N\u2032-bidentate dimethyl\u00adglyoximate ligands in a distorted octa\u00adhedral geometry. The glyoximate ligands exhibit intra\u00admolecular O\u2014H\u22efO hydrogen bonds, which is very common in cobaloxime derivatives.The title compound, [Co(C DOI: 10.1107/S1600536812001092/fk2049Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, classical N\u2014H\u22efN(O) and O\u2014H\u22efN(O) hydrogen bonds connect all the isolated components together to yield a three-dimensional structure.In the title compound, [Co(C For app al. 2009; Schott al. 2011.8H6N3)2(C2H8N2)]NO3\u00b7H2O = 0.037wR(F2) = 0.110S = 1.053714 reflections289 parameters?max = 0.32 e \u00c5\u22123\u0394\u03c1min = \u22120.42 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812032692/cv5321Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the mol\u00adecule, the dihedral angle between the planes of the two benzene rings is 65.8\u2005(4)\u00b0 which compares with 64.7\u2005(7)\u00b0 in DDT.In the structure of the title compound, C DOI: 10.1107/S1600536812032254/su2477Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812032254/su2477Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoII ion, situated on a twofold rotation axis, forms a complex with the crown-4 moiety of the 3,3\u2032-[bis\u00ad(meth\u00adylene)]dibenzoate anion. The dis\u00adtorted octahedral coordination sphere of the CoII ion is completed by two carboxyl\u00adate O atoms from two bridging intra-chain ligands. Metallomacrocyclic rings of 16 atoms are present, with each ring containing two CoII ions and 14 atoms from the bridging ligands. These units repeat as infinite zigzag chains along [101].The title compound, [Co(C DOI: 10.1107/S1600536813032832/gg2131Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813032832/gg2131Isup3.cdxSupporting information file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The ZnII ion is coordinated in a distorted tetra\u00adhedral environment by two N atoms from the chelating 2,9-dimethyl-1,10-phenanthroline ligand and two bromide ions. There is inter\u00admolecular \u03c0\u2013\u03c0 stacking between adjacent phenanthroline units, with centroid\u2013centroid distances of 3.594\u2005(3) and 3.652\u2005(3)\u2005\u00c5.The reaction of equimolar amounts of zinc bromide and 2,9-dimethyl-1,10-phenanthroline in dry methanol provided the title compound, [ZnBr DOI: 10.1107/S1600536812022738/bt5921Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal atom is surrounded by the two different neutral ligands dimethyl sulfoxide (DMSO) and water, each coordin\u00adating through the O atom. The anionic saccharinate ligand coordin\u00adates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Cd atom lies on a crystallographic center of symmetry. The DMSO ligand coordinates through the lone pair of electrons on the O atom, as can be seen from the Cd\u2014O\u2014S bond angle of 123.96\u2005(9)\u00b0.The title compound, [Cd(C DOI: 10.1107/S1600536811044497/ff2035Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains voids of 113\u2005(19)\u2005\u00c53, but no solvent mol\u00adecule could reasonably be located there.The crystal structure of the title salt, [Sn(C DOI: 10.1107/S1600536810039450/xu5034Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuI cation is four-coordinated by two P atoms of a 1,3-bis\u00ad(diphenyl\u00adphosphan\u00adyl)propane mol\u00adecule and two N atoms of a 1,10-phenanthroline ligand, with a coordination geometry that can be considered as distorted tetra\u00adhedral. The crystal studied was twinned with a twin ratio of 0.786\u2005(2):0.214\u2005(2).The title compound, [Cu(C DOI: 10.1107/S160053681104606X/lr2032Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is an eight-coordinate complex with a square-anti\u00adprismatic geometry around the BiIII atom. In the crystal, extensive O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, as well as ion pairing, C=O\u22ef\u03c0 inter\u00adactions [O\u22efcentroid distance = 3.583\u2005(5)\u2005\u00c5], \u03c0\u2013\u03c0 stacking [centroid\u2013centroid distance = 3.864\u2005(3)\u2005\u00c5], and C\u2014H\u22ef\u03c0 and C\u2014H\u22efO inter\u00adactions, play an important role in the formation and stabilization of the three-dimensional supra\u00admolecular structure.The asymmetric unit of the ionic title compound, (C DOI: 10.1107/S160053681202630X/su2401Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the carboxyl\u00adate groups bridges adjacent Ca2+ ions, forming a polymeric ribbon structure parallel to [010]. In the crystal, the benzoate anions and water mol\u00adecule inter\u00adact by way of inter- and intra\u00admolecular O\u2014H\u22efO hydrogen bonds.In title compound, [Ca(C DOI: 10.1107/S1600536811013493/bv2180Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CeIII ion is 11-coordinated: three nitrate radical anions coordinate to the CeIII ion through O atoms, two HL ligands chelate the CeIII ion through the O atoms of the phenolate and meth\u00adoxy groups, and one methanol mol\u00adecule coordinates to CeIII ion through its O atom. The O atom of one nitrate anion is disordered over two sites of equal occupancy. The protonated imine N atoms are involved in intra\u00admolecular hydrogen bonds with the phenoxide groups. C\u2014H\u22efO inter\u00adactions are also observed.The asymmetric unit of title compound, [Ce(NO DOI: 10.1107/S1600536810026139/pv2292Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination at the N atom is slightly pyramidal, as indicated by the angular sum around it of 352.6\u00b0. The amide group is inclined at 17.86\u2005(9) and 27.27\u2005(11)\u00b0 with respect to the aromatic rings. In the crystal, mol\u00adecules are linked by one C\u2014H\u22efO hydrogen bond and one C\u2014H\u22ef\u03c0 inter\u00adaction into a two-dimensional framework parallel to the b axis.In the title compound, [Fe(C DOI: 10.1107/S1600536811013754/im2277Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both amine N atoms are protonated. The Cu\u2014Br distances in the tetrahedral anion are in the range 2.3809\u2005(11)\u20132.4131\u2005(11)\u2005\u00c5. In the crystal, moderately strong and weak inter\u00admolecular N\u2014H\u22efBr hydrogen bonds link the anion and cation units into an infinite two-dimensional network parallel to the ab plane.The title compound, (C DOI: 10.1107/S1600536811024184/vn2014Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is coordinated by three O and one N atom from one 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl\u00adphenolate ligand and two bridging trimethyl\u00adsilanolate anions in a distorted tetra\u00adhedral geometry. The dihedral angle between the benzotriazole ring system and the benzene ring is 19.83\u2005(5)\u00b0. The tert-pentyl groups are disordered over two orientations with refined site-occupancy ratios of 0.858\u2005(4):0.142\u2005(4) and 0.665\u2005(6):0.335\u2005(6).The binuclear title complex, [Zn DOI: 10.1107/S1600536811054134/rz2685Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The BiIII ion is coordinated in a distorted tricapped trigonal-prismatic geometry, defined by two N atoms of the bipy ligand, four O atoms of two HBTC2\u2212 anions, two O atoms of a nitrate anion and one O atom of a dimethyl sulfoxide ligand. The crystal packing is stabilized by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds. The S atom of the non-coordinating dimethyl sulfoxide mol\u00adecule is disordered over two sets of sites with refined site-occupancies of 0.430\u2005(19) and 0.570\u2005(19).The polymeric title compound, {[Bi(C DOI: 10.1107/S1600536811005745/bt5453Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron of the Cu atom is an elongated octa\u00adhedron distorted by Jahn\u2013Teller effects. Inter\u00admolecular O\u2014H\u22efO, O\u2014H\u22efN, N\u2014H\u22efO and N\u2014H\u22efN hydrogen-bonding inter\u00adactions link these units into a three-dimensional supra\u00admolecular architecture.A pair of linear cyanamide (NCNH DOI: 10.1107/S1600536811032399/pk2338Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII cation is coordinated by two N atoms from two 4,4\u2032-bipyridine ligands and four water mol\u00adecules in a distorted octa\u00adhedral geometry. The 4,4\u2032-bipyridine ligands bridge Co cations, forming a polymeric chain running along the b axis. The two pyridine rings of the 4,4\u2032-biyridine are twisted to each other by a dihedral angle of 8.95\u2005(9)\u00b0. Extensive O\u2014H\u22efO hydrogen bonding network is present in the crystal structure.The crystal structure of the title compound, {[Co(C DOI: 10.1107/S1600536811023816/xu5203Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N\u2014H\u22efO hydrogen bonds link the diimidazolium cations and the polyoxidoanions into a chain structure along [100]. \u03c0\u2013\u03c0 inter\u00adactions between the imidazole rings and between the imidazole and benzene rings connect the chains.In the title compound, (C DOI: 10.1107/S1600536811053050/hy2492Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular C\u2014H\u22efO hydrogen bond occurs. The crystal structure is stabilized by C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distances = 3.582\u2005(5) and 3.582\u2005(5)\u2005\u00c5].In the title compound, [CdBr DOI: 10.1107/S1600536812033168/hy2573Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The charge compensation is ensured by Li+ cations sharing a tetra\u00adhedral site with Co2+ ions . The anionic unit is formed by two octa\u00adhedra and three tetra\u00adhedra linked only by corners. The CoM1M2As2O19 units associate to an open three-dimensional framework containing tunnels propagating along the a-axis direction. One Na+ cation is located in the periphery of the tunnels while the other two are situated in the centres: all Na+ cations exhibit half-occupancy. The structure of the studied material is compared with those of various related minerals reported in the literature.The title compound, tetrasodium lithium cobalt aluminium hexa\u00ad(orthoarsenate), was synthesized by a solid state reaction route. In the crystal structure, Co DOI: 10.1107/S1600536813025233/vn2076Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal atom is in a distorted tetra\u00adhedral coordination environment with the two S atoms from two thio\u00adurea ligands and two O atoms from two acetate anions as the coordinating atoms. All H atoms of the thio\u00adurea ligands are involved in N\u2014H\u22efO and N\u2014H\u22efS hydrogen bonds, leading to a three-dimensional network.The title compound, [Co(CH II compound, see: Cavalca et al. 2(CH4N2S)2] = 0.016wR(F2) = 0.041S = 1.043087 reflections190 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.35 e \u00c5\u22123\u0394\u03c1min = \u22120.19 e \u00c5\u22123\u0394\u03c1APEX2 I, global. DOI: 10.1107/S1600536814002074/sj5387Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The butyl\u00adtriethyl\u00adammonium cations inter\u00adact with the tetra\u00adhedral [FeCl4]\u2212 anion through weak C\u2014H\u22efCl inter\u00adactions, forming a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536812017047/ez2288Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by inter\u00admolecular C\u2014H\u22efO hydrogen bonds into chains parallel to the b axis.In the title compound, C DOI: 10.1107/S1600536811018332/rz2596Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811018332/rz2596Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag1.87Cu0.13)(Zn0.61Fe0.36Cd0.03)SnS4. One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite is I-4, rather than I-42m as previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91\u2005(6):0.09\u2005(6)].Pirquitasite, ideally Ag DOI: Click here for additional data file.10.1107/S1600536813001013/br2219Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The presence of a methyl substituent in the para position of the aniline group does not alter the crystal packing compared to that of 3-anilino-1-ferrocenylpropan-1-one . The molecules are connected into centro\u00adsymmetric dimers via N\u2014H\u22efO hydrogen bonds. In addition, C\u2014H\u22efO and C\u2014H\u22efN contacts stabilize the crystal packing.In the title ferrocene derivative, [Fe(C al. 2012. Acta Cr DOI: 10.1107/S1600536812003509/bt5791Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The RuII atom shows the typical piano-stool motif for arene coordination. The counter-charge is provided by a hexa\u00adfluorido\u00adphosphate anion and the asymmetric unit is completed by an acetone mol\u00adecule of crystallization. The components of the structure are connected into a three-dimensional architecture by C\u2014H\u22efO/F/Cl inter\u00adactions.In the title compound, [Ru II\u2013arene complexes, see: Bennett & Smith 2Cl2(C16H8N4)](PF6)2\u00b72C3H6O = 0.030wR(F2) = 0.080S = 1.014133 reflections302 parametersH-atom parameters constrainedmax = 1.17 e \u00c5\u22123\u0394\u03c1min = \u22120.67 e \u00c5\u22123\u0394\u03c1X-AREA global, I. DOI: 10.1107/S160053681400035X/tk5277Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The cyclo\u00adhexyl group is disordered over two orientations with site-occupancy factors of 0.600\u2005(14) and 0.400\u2005(14).In the title compound, [Bi(C DOI: 10.1107/S1600536811002510/lx2186Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds link cations and anions into a three-dimensional structure.The asymmetric part of the title compound, (C DOI: 10.1107/S1600536811043091/cv5168Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043091/cv5168Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one NiII ion located on an inversion center, as well as one pyridine ligand, one nitrate anion and two water mol\u00adecules in general positions. In the crystal structure, the discrete complex cations and nitrate anions are connected by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, [Ni(C DOI: 10.1107/S1600536810021653/hy2315Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810023378/rk2207Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The AlIII atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4]\u2212 anions are on general positions. At 123\u2005K, the structure exhibits disorder in two of the Br atoms of the [AlBr4]\u2212 ion, with a ratio occupancy of 0.733\u2005(6): 0.267\u2005(3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. The interactions link the moieties in a three-dimensional array.The title compound, [Al(C DOI: 10.1107/S1600536814002554/bh2490Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the crystal, the btec half-mol\u00adecules are completed by crystallographic inversion symmetry. GdO9 and KO8 polyhedra are connected, forming layers in the ab plane, which are further inter\u00adconnected by \u03bc8- or \u03bc12-bridging btec ligands, forming a three-dimensional structure.In the title compound, [KGd(C DOI: 10.1107/S1600536811016254/si2351Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mean planes of the CuN2C3 metallocyclic rings form a dihedral angle of 72.73\u2005(6)\u00b0. In the L ligands, the pyrrole rings are inclined to each other at dihedral angles of 3.03\u2005(7) and 9.83\u2005(7)\u00b0. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions, which form chains in [100].In the title complex, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812040998/cv5335Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The equatorial positions are occupied by two N atoms from two 2,2\u2032-bipyridyl ligands [Fe\u2014N = 2.121\u2005(5) and 2.147\u2005(5)\u2005\u00c5] and two Cl atoms [Fe\u2014Cl = 2.220\u2005(2) and 2.2074\u2005(18)\u2005\u00c5]. Weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efCl hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions consolidate the crystal packing.In the crystal structure of the title compound, [FeCl DOI: 10.1107/S1600536811016035/zq2098Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule lies on a sixfold inversion axis.In the crystal structure of the title compound, [Hf(C DOI: 10.1107/S1600536811014516/ng5148Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N\u2014H\u22efCl, N\u2014H\u22efO and O\u2014H\u22efCl.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811043236/zq2122Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting CdN3O4 coordination polyhedron approximates to a very distorted penta\u00adgonal bipramid with one O and one N atom in axial positions. One of the ABTC ligands is bridging to an adjacent metal atom, generating an infinite chain propagating in [100]. A three-dimensional network is constructed from N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds and aromatic \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid separations = 3.641\u2005(2) and 3.682\u2005(3)\u2005\u00c5].In the title coordination polymer, [Cd(C DOI: 10.1107/S160053681201642X/hb6715Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the components are linked by C\u2014H\u22efCl inter\u00adactions.In the title solvated complex, [NiCl DOI: 10.1107/S1600536811042759/hb6452Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average Ca\u2014O, Mn\u2014O and S\u2014O bond lengths are 2.489, 1.915, and 1.472\u2005\u00c5, respectively. There are two distinct hydrogen bonds that stabilize the structural set-up. This work represents the first description of hydrogen bonds in the fleischerite group of minerals.The crystal structure of despujolsite [tricalcium manganese bis\u00ad(sulfate) hexahydroxide tri\u00adhydrate], the Ca/Mn member of the fleischerite group, ideally Ca al. 1968. Bull. S DOI: 10.1107/S1600536811030911/wm2518Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The compound was isolated as a by-product from a mixture of [(C5H4SiMe2)2ZrCl2] and Li[AlH4] in Et2O.The title compound, [Zr DOI: 10.1107/S1600536811007094/su2258Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag\u2014N and Ag\u2014O distances are in the ranges 2.150\u2005(5)\u20132.198\u2005(5) and 2.142\u2005(4)\u20132.702\u2005(5)\u2005\u00c5, respectively. A two-dimensional coordination network is formed parallel to (100). The O atom of the disordered solvent water mol\u00adecule is located on an inversion center.In the title coordination polymer, {[Ag DOI: 10.1107/S1600536811028261/gk2394Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NdIII ion is ten-coordinated by three bis-chelating nitrate groups and four O atoms of the Schiff base ligand. The atoms of one of the nitrato ligands are disordered over two sets of sites, with refined occupancies of 0.567\u2005(13) and 0.433\u2005(17).In the title complex, [CuNd(C DOI: 10.1107/S1600536810040833/lh5135Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [SnCl6]2\u2212 anion exhibits almost perfect octa\u00adhedral geometry. The 3-aza\u00adniumylpyridin-1-ium and chloride ions are connected via medium\u2013strong charge-supported N\u2014H\u22efCl hydrogen bonds, forming undulating layers in the (110) plane. The [SnCl6]2\u2212 ions are located between these layers and occupy cavities formed by two facing layer puckers.The asymmetric unit of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813006806/pk2471Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnII atoms are penta\u00adcoordinated and have a distorted octa\u00adhedral \u03a8-SnCl3O2 coordination geometry. The O atoms from the dimethyl sulfoxide mol\u00adecules occupy trans positions, while the Cl atoms exhibit a meridional arrangement.The structure of the title compound, [Sn DOI: 10.1107/S1600536811009895/vn2005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In both cations, the FeII atom is coordinated by six monodentate imidazole ligands and exhibits a slightly distorted octa\u00adhedral coordination geometry. The Fe\u2014N distances [2.184\u2005(4)\u20132.218\u2005(4)\u2005\u00c5] point to a high-spin state of the Fe2+ ions. N\u2014H\u22efO hydrogen bonds between the ionic components generate a three-dimensional framework containing corrugated channels along [001], which are filled by N\u2014H\u22efN hydrogen-bonded imidazole chains.The asymmetric unit of the title compound, [Fe(C For spidwin 2004; Lemerci al. 2006. For the al. 1996. 3H4N2)6]SO4\u00b72C3H4N2 = 0.065 wR(F 2) = 0.107 S = 0.85 10955 reflections829 parametersH-atom parameters constrainedmax = 0.63 e \u00c5\u22123 \u0394\u03c1min = \u22120.50 e \u00c5\u22123 \u0394\u03c1 CrysAlis PRO used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811043169/gk2405Isup3.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuI cation is in a distorted tetra\u00adhedral coordination environment defined by two iodide anions and two nitro\u00adgen atoms from two individual HIPy ligands. Two CuI atoms are connected by two HIPy ligands to form a dimer and these dimers are further bridged through the iodide atoms, leading to a chain structure extending parallel to [100]. Moreover, inter\u00admolecular N\u2014H\u22efI hydrogen bonds and weak \u03c0\u2013\u03c0 stacking inter\u00adactions between pyridyl rings link the chains into a two-dimensional supra\u00admolecular network in the ac plane.The title polymeric compound, [Cu N-heterocyclic carb\u00adoxy\u00adlic acid ligands, see: Chen & Tong 2] = 0.031 wR(F 2) = 0.080 S = 1.06 1682 reflections118 parametersH-atom parameters constrainedmax = 0.86 e \u00c5\u22123 \u0394\u03c1min = \u22120.69 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811033605/zl2401Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each ferrate(\u2212I) anion is in contact with one (18-crown-6)potassium cation via K\u22efC contacts to the outer four carbon atoms of the naphthalene ligand . When using the midpoints of the coordinating olefin bonds, the overall geometry of the coordination sphere around iron can be best described as distorted tetra\u00adhedral. The naphthalene fold angle between the plane of the iron-coordinating butadiene unit and the plane containing the exo-benzene moiety is 19.2\u2005(1)\u00b0.The title salt, [K(C DOI: 10.1107/S160053681203704X/wm2674Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536813030286/fj2648Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal atoms are connected via the ligands into layers, which are further connected by O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonding.In the title compound, [Co(C DOI: 10.1107/S1600536810023809/nc2187Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene\u00addicarboxyl\u00adate dianions bridge the CoII atoms into a tape running along the b axis. C\u2014H\u22efO hydrogen bonds are observed in the tape and between the tapes.In the asymmetric unit of the title polymeric compound, [Co(C DOI: 10.1107/S1600536812020028/is5111Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion bears two nine-coordinate CeIII ions, each with a distorted tricapped trigonal\u2013prismatic geometry. In the crystal, inter\u00admolecular C\u2014H\u22efO, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, as well as \u03c0\u2013\u03c0 inter\u00adactions with centroid\u2013centroid distances of 3.514\u2005(3)\u2005\u00c5 connect the various components into a supra\u00admolecular structure.The title compound, {(C DOI: 10.1107/S1600536811004995/hy2405Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions and cations are connected by weak N\u2014H\u22efBr and C\u2014H\u22efBr hydrogen-bonding inter\u00adactions.In the crystal structure of the title complex, (C DOI: 10.1107/S1600536810023469/nc2190Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O\u2014Al\u2014N bite angle of the chelating ligand is 94.14\u2005(9)\u00b0. The O\u2014C\u2014C\u2014C\u2014N backbone of the ligand is nearly coplanar (r.m.s. deviation = 0.029\u2005\u00c5) and the Al atom deviates significantly from the mean plane by 0.525\u2005(3)\u2005\u00c5. In the crystal, weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions are observed.The mol\u00adecular structure of the title compound, [Al(CH DOI: 10.1107/S1600536812005880/zq2142Isup3.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812005880/zq2142Isup4.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion bridges adjacent metal atoms, forming zigzag polymeric chains parallel to [011] and [0In the title coordination polymer, [Sn(CH DOI: 10.1107/S1600536811055176/rz2693Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In L, one \u2013CF3 group is rotationally disordered between two orientations in a 1:1 ratio. The solvent mol\u00adecule was treated as disordered between two positions related by an inversion center with occupancies fixed at 0.5. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efF contacts.In the title compound, [Pd(CH DOI: 10.1107/S1600536811005277/cv5026Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Bond lengths and angles of the phosphide P atom feature a pyramidal geometry of the donor atom, which forms a single bond with the NiII atom, retaining a stereochemically active lone pair.In the title compound, [Ni(C Cl] = 0.041wR(F2) = 0.108S = 1.0010236 reflections270 parametersH-atom parameters constrainedmax = 1.04 e \u00c5\u22123\u0394\u03c1min = \u22120.46 e \u00c5\u22123\u0394\u03c1CrystalClear used to solve structure: SHELXS97 global, I. DOI: Click here for additional data file.10.1107/S1600536812044947/im2406Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pydc ligands act as bidentate chelating ligands through one carboxyl\u00adate O atom and the pyridine N atom. Inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds stabilize the crystal structure.In the title compound, (C DOI: 10.1107/S1600536811008452/hy2411Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands link the CdII ions into a zigzag chain extending along [0In the title compound, {[CdBr DOI: 10.1107/S160053681101662X/hy2426Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is five-coordinated in a distorted square-pyramidal geometry by five O atoms from four bpdc ligands. The dihedral angle between the benzene rings is 52.32\u2005(12)\u00b0.The crystal structure of the polymeric title complex, [Zn(C DOI: 10.1107/S1600536812038901/hy2581Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The m-BDC ligand is located over a twofold rotation axis. The CdII atoms are bridged by the m-BDC ligands, leading to a wave-shaped chain structure along [010]. N\u2014H\u22efO hydrogen bonds connect the chains.In the title coordinaltion polymer, [Cd(C DOI: 10.1107/S1600536811001243/hy2397Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co cation displays a CoO6 octa\u00adhedral geometry formed by six water mol\u00adecules. In the anion, the two carboxyl groups are oriented at dihedral angles of 4.8\u2005(5) and 10.4\u2005(7)\u00b0 with respect to the benzene ring. Very strong O\u2014H\u22efO hydrogen bonds between the protonated and deprotonated carboxylate groups occur. Neighbouring cations and anions are connected through O\u2014H\u22efO hydrogen bonds into a three-dimensional supra\u00admolecular structure.In the crystal structure of the title compound, [Co(H DOI: 10.1107/S1600536810028771/xu2789Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the cation and anion are linked by a pyridinium\u2013carboxyl\u00adate N\u2014H\u22efO hydrogen bond.In the title salt, (C DOI: 10.1107/S1600536811031473/xu5284Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds help to establish the packing.In the title compound, [Mg(C DOI: 10.1107/S1600536810039437/hb5638Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent Na+ ions are linked alternately by two water O atoms and two carb\u00adoxy O atoms into a chain along [001]. These chains are connected through the coordination of the carboxyl\u00adate O atoms to the Na+ ions, forming a three-dimensional structure. An intra\u00admolecular O\u2014H\u22efO hydrogen bond and inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are present in the crystal structure.In the title compound, {[Na(C DOI: 10.1107/S1600536811007732/hy2402Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The presence of two bulky tert-butyl groups on the carboxyl\u00adate prevents any hydrogen-bonding inter\u00adactions involving the hy\u00addroxy group.The title compound, [Sn(C DOI: 10.1107/S1600536810021884/hy2317Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pt atom is located on an inversion centre, and thus the asymmetric unit contains one half of the complex and the PtN2Br2 unit is exactly planar. The dihedral angle between the PtN2Br2 unit and acridine ligand is 78.98\u2005(9)\u00b0. In the crystal structure, the complex mol\u00adecules are arranged in two distinct chains along [110] and [In the title complex, [PtBr DOI: 10.1107/S160053681003309X/hy2340Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cations and anions are connected by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds into layers in the ab plane.In the title compound, [Fe(SO DOI: 10.1107/S160053681101405X/nc2220Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N-pyrazolylpropanamide (PPA) complex, [CuBr(PPA)2]Br, was obtained in 78% yield by treatment of CuBr2 with an excess of the ligand in methanol. Crystallization from the mother liquid afforded the title compound, i.e. the methanol solvate [CuBr(C6H9N3O)2]Br\u00b7CH3OH or [CuBr(PPA)2]Br\u00b7MeOH, as bright green crystals. In the solid state, the title salt comprises isolated [CuBr(PPA)2]+ cations, separated bromide ions and methanol of crystallization. In the cation, the central CuII ion is coordinated by two N,O-chelating PPA ligands and one Br\u2212 ion. The coordination geometry around the CuII ion is distorted trigonal\u2013bipyramidal with the bromide ligand and the amide O atoms occupying the equatorial positions , while the pyrazole N atoms coordinate in the axial positions [Cu\u2014N = 1.975\u2005(2) and 1.976\u2005(2)\u2005\u00c5]. In the crystal, the three constituents are linked by N\u2014H\u22efBr, O\u2014H\u22efBr, and N\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.The title copper(II) DOI: 10.1107/S1600536812038111/qk2039Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion is completed by application of a -3 axis. The MnII ion is six-coordinated by six O atoms from two aqua ligands and three different cyclo\u00adhexa\u00adcarboxyl\u00adate anions in an octa\u00adhedral geometry. The six carboxyl\u00adate groups adopt a bridging bidentate mode to ligate the MnII ions. Thus, each cyclo\u00adhexane-1,2,3,4,5,6-hexa\u00adcarboxyl\u00adate anion adopts a \u03bc9-connected mode, ligating nine different MnII ions and forming a three-dimensional framework. In the framework, there are strong O\u2014H\u22efO hydrogen-bonding inter\u00adactions, which further stabilize the crystal structure.The asymmetric unit of the title compound, [Mn DOI: 10.1107/S1600536813015626/bx2441Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the dinuclear mol\u00adecule, two NiII cations are bridged by the butane-1,2,3,4-tetra\u00adcarboxyl\u00adate (BTC4\u2212) anion. Each NiII atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC4\u2212 anion and three aqua ligands in a distorted octa\u00adhedral geometry. Inter\u00admolecuar O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adations consolidate the crystal packing.The asymmetric unit of the title compound, [Ni DOI: 10.1107/S1600536810045137/cv2791Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As a result of the different trans effects of Br, N and O atoms, the Mn\u2014N bond trans to the Br atom is slightly longer than the Mn\u2014N bond trans to the N or O atoms. In the crystal, the dpa ligands are not planar, the dihedral angles between the two pyridine rings being 29.2\u2005(4) and 28.2\u2005(3)\u00b0. The complex cations and the Br\u2212 anions are linked by inter\u00admolecular O\u2014H\u22efBr and N\u2014H\u22efBr hydrogen bonds. Inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions are present between the pyridine rings, with a centroid\u2013centroid distance of 3.793\u2005(4)\u2005\u00c5.In the title compound, [MnBr(C II complexes with a di-2-pyridyl\u00adamine ligand, see: Bose et al. 2(H2O)]Br = 0.057 wR(F 2) = 0.174 S = 0.96 4215 reflections271 parametersH-atom parameters constrainedmax = 1.02 e \u00c5\u22123 \u0394\u03c1min = \u22121.02 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811048100/hy2487Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, C\u2014H\u22efBr inter\u00adactions link the mol\u00adecules.The asymmetric unit of the title compound, [ZnBr DOI: 10.1107/S1600536810028692/hb5556Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal cations are \u03bc-1,3-bridged via thio\u00adcyanate anions into chains that are further connected into layers parallel to the ab plane by bridging isonicotinate anions. The layers are stacked along the c axis. The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds.In the crystal structure of the title compound, [Cd(NCS)(C DOI: Click here for additional data file.10.1107/S1600536812040913/bt6838Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuI ion, together with its chelating butane-1,3-dione group, is mutually coplanar [greatest displacement of an atom from this plane = 0.037\u2005(1)\u2005\u00c5], and the CuI ion lies slightly above [0.013\u2005(1)\u2005\u00c5] the plane. The overall geometry, including the bond distances and angles within the complex, corresponds to those of other reported copper(I) \u03b2-diketon\u00adates featuring organic groups at the \u03b2-diketonate ligand.In the title mononuclear coordination complex, [CuFe(C DOI: 10.1107/S1600536811001796/si2308Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 2 Enhanced figure:"} {"text": "These chains are further extended into a three-dimensional network via O\u2014H\u22efO hydrogen-bonding inter\u00adactions and inter\u00adchain \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.662\u2005(2)\u2005\u00c5].In the title compound, [Co DOI: 10.1107/S1600536811019970/sj5153Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tetra\u00adhedral angles are in the range 104.93\u2005(9)\u2013118.81\u2005(9)\u00b0.In the title compound, [Zn(C DOI: 10.1107/S1600536811054821/bv2196Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PbII atom is seven-coordinated by six O atoms and one N atom from the H2 L ligands, giving a capped octa\u00adhedral coordination geometry. The structure is a layered two-dimensional coordination polymer extending parallel to (100) with N\u2014H\u22efO hydrogen bonds inter\u00adactions between the layers, stabilizing the crystal structure.The crystal structure of the two-dimensional polymeric title compound, [Pb(C DOI: 10.1107/S1600536811017065/go2009Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains two Er, one Ba, and four S atoms, each with .m. site symmetry. The structure consists of channels formed by corner- and edge-sharing ErS6 octa\u00adhedra in which Ba atoms reside. The resultant coordination of Ba is that of a bicapped trigonal prism.Barium dierbium(III) tetra\u00adsulfide, BaEr DOI: Click here for additional data file.10.1107/S1600536813003541/br2222Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812016777/zs2193Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the cations are linked by strong C\u2014H\u22efO hydrogen bonds into C(6) chains along [100]. The cations and anions are linked into a three-dimensional architecture by weak C\u2014H\u22efN and C\u2014H\u22efS inter\u00adactions.The asymmetric unit of the title ion-pair complex, (C DOI: 10.1107/S1600536812033831/bx2420Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion is perfectly ordered and so the positions of the C\u2014NH2 vertex and the fluorine substituent are clearly assigned. The relatively short C\u2014N bond length may be inter\u00adpreted in terms of a very electron deficient {closo-1-CB11} cluster.In the asymmetric unit of the title salt, C DOI: 10.1107/S1600536812004424/ru2027Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by N\u2014H\u22efN hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C\u2014H\u22efO inter\u00adactions, which generate R 2 2(18) ring motifs within an infinite sheet. Finally, two C\u2014H\u22ef\u03c0 inter\u00adactions are present, where the C\u2014H groups are from the pyridine ring and \u03c0 is the pyrrole ring.In the title compound, C DOI: 10.1107/S1600536810025341/hb5530Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging ligand, which is completed by crystallographic twofold symmetry, links the CoII atoms into [10In the title one-dimensional coordination polymer, [Co(C DOI: 10.1107/S160053681004715X/hb5708Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination around the HgII ion may be described as highly distorted trigonal\u2013bipyramidal. Centrosymmetric dimers are formed by an additional weak Hg\u22efCl inter\u00adaction, leading to a distorted octa\u00adhedral coordination geometry around the HgII ion. In the neutral title complex, [HgCl DOI: 10.1107/S1600536812026591/im2385Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The acet\u00adoxy and acetyl groups deviate from the thia\u00adzole plane by 69.17\u2005(6) and 7.25\u2005(19)\u00b0, respectively. The thia\u00adzole and benzene rings form a dihedral angle of 73.50\u2005(4)\u00b0. In the crystal, centrosymmetrically related mol\u00adecules are connected into dimeric aggregates via C\u2014H\u22efO inter\u00adactions.The structural analysis of the title compound, C DOI: Click here for additional data file.10.1107/S1600536813004236/tk5195Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813004236/tk5195Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Sb and N atoms are trans to each other.In the title compound, [FePdCl(C DOI: 10.1107/S1600536813015109/vn2072Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiII atom is six-coordinated in a distorted octa\u00adhedral geometry defined by the two N atoms of the bipy ligand and four water O atoms. The crystal structure contains extensive classical O\u2014H\u22efO hydrogen bonds, which link the ions into a two-dimensional array in the ab plane. Layers are connected into a three-dimensional supra\u00admolecular structure by C\u2014H\u22efO inter\u00adactions.The asymmetric unit of the title complex, [Ni(C DOI: 10.1107/S160053681202538X/tk5105Isup2.cdxSupplementary material file. DOI: 10.1107/S160053681202538X/tk5105Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: Click here for additional data file.10.1107/S1600536812046648/xu5650Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodeca\u00adhedral CdN4O4 coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion.The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate\u2013nitrite title complex, [Cd(NO DOI: 10.1107/S1600536811002431/wm2452Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains three Zn sites, three B-atom sites , two P sites (both with m symmetry) and nine O-atom sites (four with m symmetry). The fundamental building units of the title structure are isolated BO3 triangles and PO4 tetra\u00adhedra, which are bridged by ZnO4 tetra\u00adhedra or ZnO5 trigonal bipyramids through common O atoms, leading to a three-dimensional framework structure. Some significant structural differences between the \u03b2-polymorph and the \u03b1-polymorph are discussed.Crystals of \u03b2-Zn DOI: 10.1107/S1600536810051871/wm2419Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the NiII atom, located on a twofold rotation axis, is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 23.19\u2005(17)\u00b0. In the crystal, a short inter\u00admolecular Br\u22efBr [3.6475\u2005(7)\u2005\u00c5] inter\u00adaction is present.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536812020375/su2421Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The three arms form a pocket and one amidic O atom accepts an inter\u00admolecular hydrogen bond with the protonated amine. The tetra\u00adfluoro\u00adborate anion is outside the cavity and is hydrogen bonded to one amide N atom. Adjacent organic cations are connected by a pair of N\u2014H\u22efO hydrogen bonds, forming a chain.In the title compound, C DOI: 10.1107/S1600536810024323/rk2214Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NdIII atoms are linked by HL \u2212 and L 2\u2212 ligands [H2 L is 5-(pyridine-4-carboxamido)\u00adisophthalic acid], forming a bilayer network. The layers are linked into a three-demensional network through N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, {[Nd(C DOI: 10.1107/S1600536811034532/ng5214Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "C. R. H DOI: 10.1107/S1600536813018588/br2229Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810049007/bq2246Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water mol\u00adecule participates in the formation of hydrogen bonds, resulting in a three dimensional network involving the Cl atoms and the NH groups. The terminal C atom of the ethyl group is disordered over two sites of equal occupancy.In the title compound, [CoCl DOI: 10.1107/S1600536811011032/pv2382Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hy\u00addroxy group forms an intra\u00admolecular O\u2014H\u22efO hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.The deprotonated Schiff base ligand in the title salt, [Ni(C DOI: 10.1107/S1600536810039292/xu5041Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Fe2S2 core adopts a butterfly shape, with each metal having a pseudo square-pyramidal geometry. The N-substituted aza\u00addithiol\u00adate is \u03bc2-\u03ba4S,S\u2032:S,S\u2032-coordinated to the Fe(CO)3 moieties to form two fused six-membered rings with different conformations. The sum of the C\u2014N\u2014C angles around the N atom [356.85\u2005(15)\u00b0] indicates a flattening of the trigonal\u2013pyramidal geometry about the N atom and an increase in the degree of sp2-hybridization.The title compound, [Fe DOI: 10.1107/S1600536812003753/mw2048Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Er+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti\u00adprismatic fashion by eight O atoms from bridging pyrazine N,N\u2032-dioxide ligands. There are two unique pyrazine N,N\u2032-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter\u00adact with the coordination network through C\u2014H\u22efO hydrogen bonds.The title three-dimensional coordination network, {[Er(C DOI: 10.1107/S1600536810031843/zl2301Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PtII atom is in a distorted square-planar environment and is bound to the ligand via the P and amine N atoms in a cis fashion, with the chlorine atoms located at the two remaining sites.The title compound, [PtCl DOI: 10.1107/S1600536811040086/go2028Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each AlO4 unit shares four O atoms with four adjacent PO4 units, leading to an anionic chain along [100]. The negative charge of the chain is compensated by doubly protonated camphoric amine cations. N\u2014H\u22efO hydrogen bonds connect the cations and the anionic chains. O\u2014H\u22efO hydrogen bonds are present in the chain.In the title compound, {(C DOI: 10.1107/S1600536812028826/hy2556Isup2.molSupplementary material file. DOI: 10.1107/S1600536812028826/hy2556Isup3.cdxSupplementary material file. DOI: 10.1107/S1600536812028826/hy2556Isup4.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812028826/hy2556Isup5.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by weak C\u2014H\u22efO inter\u00adactions.In the mononuclear title complex, [Cu(C DOI: 10.1107/S1600536811045636/ff2036Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond angles at the Ni atom lie between 96.69\u2005(2) and 115.40\u2005(3)\u00b0, while the dihedral angle between the mean planes of the two thio\u00adurea ligands is 6.36\u2005(15)\u00b0. The crystal structure is characterized by intra- and inter\u00admolecular N\u2014H\u22efCl hydrogen bonds, which lead to the formation of two-dimensional networks lying parallel to the ab plane. The networks are linked via classical N\u2014H\u22efCl and N\u2014H\u22efS hydrogen bonds, forming a three-dimensional arrangement.The title complex, [NiClri 2012b. Acta Cr For rel al. 2007; Zouihril. 2007a. For rel al. 2010.2(CH4N2S)2] = 0.017wR(F2) = 0.045S = 1.081695 reflections132 parameters10 restraintsAll H-atom parameters refinedmax = 0.25 e \u00c5\u22123\u0394\u03c1min = \u22120.15 e \u00c5\u22123\u0394\u03c1Absolute structure: Flack 1983, 745 FriFlack parameter: 0.069 (10)APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812006174/fj2518Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Pb2+ ion is seven-coordinated by five O atoms from three benzoate anions and two N atoms from the 1,10-phenanthroline ligands. The benzoate anions adopt two different coordination modes, one bidentate\u2013chelating and one tridentate bridging\u2013chelating. The three-dimensional supra\u00admolecular framework is achieved by inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions, with a shortest centroid\u2013centroid distance of 3.617\u2005(4)\u2005\u00c5.In the centrosymmetric dinuclear title compound, [Pb DOI: 10.1107/S160053681101840X/wm2486Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak Cu\u22efCl inter\u00adactions [2.793\u2005(5)\u2005\u00c5] result in the formation of a chain along the a axis.In the title complex, [Cu(C Cl] = 0.038wR(F2) = 0.098S = 1.022325 reflections172 parametersH-atom parameters constrainedmax = 0.29 e \u00c5\u22123\u0394\u03c1min = \u22120.33 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812013359/hg5195Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Zn atom is in a distorted octa\u00adhedral ZnN2O4 coordination environment. The crystal structure is stabilized by O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking of the phenanthroline units [centroid\u2013centroid distances in the range 3.552\u2005(2)\u20133.625\u2005(2)\u00c5] occurs between the chains. The title compound is isotypic with the Cu and Mn analogues. The title compouand {[Zn(C DOI: 10.1107/S1600536811024780/rk2279Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the CuII atom is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated Schiff base. The dihedral angle between the symmetry-related substituted benzene rings is 29.40\u2005(19)\u00b0. In the crystal, a short I\u22efI [3.8766\u2005(6)\u2005\u00c5] contact is present and links neighbouring mol\u00adecules into chains propagating along the a axis.In the title compound, [Cu(C DOI: 10.1107/S1600536812020387/su2420Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Dy+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti\u00adprismatic fashion by eight O atoms from bridging pyrazine N,N\u2032-dioxide ligands. There are two unique pyrazine N,N\u2032-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter\u00adact with the coordination network through C\u2014H\u22efO hydrogen bonds.The title three-dimensional coordination network, {[Dy(C DOI: 10.1107/S160053681003182X/zl2299Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the benzene rings and the pyrazine ring are 14.66\u2005(8) and 49.76\u2005(12)\u00b0.In the title complex, [Ir(C DOI: 10.1107/S1600536812031546/hy2570Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Its crystal structure is isotypic with the iron and cobalt analogues , built from MnO4(OH)(OH2) octa\u00adhedra and MnO5(OH2) octa\u00adhedra by sharing their trans or skew edges, which are inter\u00adconnected by PO3(OH) and PO4 tetra\u00adhedra via corner-sharing. The crystal structure features extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions.The title compound, Mn al. 2012. Inorg. DOI: 10.1107/S160053681201673X/br2199Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II ion in the title complex, [PdI2(C14H10N4)], is four-coordinated in a slightly distorted square-planar environment by the two pyridine N atoms of the chelating 2,3-di-2-pyridyl\u00adpyrazine (dpp) ligand and two iodide anions. In the crystal, the pyridine rings are considerably inclined to the least-squares plane of the PdI2N2 unit [maximum deviation = 0.090\u2005(2)\u2005\u00c5], making dihedral angles of 65.0\u2005(2) and 66.6\u2005(2)\u00b0. The pyrazine ring is perpendicular to the unit plane, with a dihedral angle of 89.9\u2005(2)\u00b0. The complex mol\u00adecules are connected by C\u2014H\u22efI hydrogen bonds, forming a helical chain along the b axis.The Pd DOI: 10.1107/S1600536811044023/is2795Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the imidazoline-1-oxyl-3-oxide unit of the ligand, the four methyl groups and the C atoms to which they are bonded are disordered over two sets of sites, with a refined occupancy ratio of 0.737\u2005(5):0.263\u2005(5). In the title complex, [CuCl DOI: 10.1107/S1600536811040475/bh2382Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "V compound, [Nb2(C44H28N4)2O3], each Nb atom is seven-coordinated with three bridging O atoms and four N atoms from a chelating tetra\u00adphenyl\u00adporphyrinate anion. The Nb\u2014O bond lengths range from 1.757\u2005(6) to 2.331\u2005(6)\u2005\u00c5, and the average (niobium\u2013pyrrole N atom) distance is 2.239\u2005\u00c5. In the dinuclear mol\u00adecule, the Nb\u22efNb separation is 2.8200\u2005(8)\u2005\u00c5, and the dihedral angle between the two porphyrinate mean planes is 5.4\u2005(1)\u00b0. Weak inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions are present in the crystal structure.In the title dinuclear Nb DOI: 10.1107/S1600536811020538/xu5216Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methoxide ligands form an asymmetric bridge between the two TiIV atoms [Ti\u2014O bond lengths of 1.9794\u2005(12) and 2.0603\u2005(12)\u2005\u00c5] with the two phenolato ligands occupying the remaining basal sites [Ti\u2014O 1.8218\u2005(11) and 1.8135\u2005(11)\u2005\u00c5]. The Ti\u2014O\u2014C phenolato bond angles are similar at 161.24\u2005(10) and 160.66\u2005(11)\u00b0. The methyl ligand attached to the metal atom has a Ti\u2014C bond length of 2.0878\u2005(17)\u2005\u00c5.The molecule of the title compound, [Ti DOI: 10.1107/S1600536813025634/gg2122Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The terpyridine moiety is nearly planar, the dihedral angles between the central and the outer rings being 4.06\u2005(9) and 5.39\u2005(9)\u00b0. The N atoms in the two pyridine rings are oriented nearly anti\u00adperiplanar to that of the central ring. The benzene ring is rotated out of the plane of the central ring of the terpyridine unit by 34.65\u2005(6)\u00b0.The title compound, C DOI: 10.1107/S1600536813031541/nc2320Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031541/nc2320Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CH unit and the Cl atoms of the CHCl3 mol\u00adecule are disordered over two equally occupied positions. The complex shows a trans square-planar geometry about the Pt atom.Both the platininum complex and the solvent mol\u00adecule of the title compound, [PtBr DOI: 10.1107/S1600536811016849/bt5541Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.838\u2005(1)\u2005\u00c5] and C\u2014H\u22efCl hydrogen bonds link adjacent mol\u00adecules into a chain structure along [101].In the title compound, [CuCl DOI: 10.1107/S160053681101333X/ng5145Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C=C double bond adopts an E configuration and the geometry around the amide N atom is almost planar rather than pyramidal (mean deviation of 0.0032\u2005\u00c5 from the C3N plane). The packing of the mol\u00adecules in the crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efO hydrogen bonds.The title compound, C DOI: 10.1107/S1600536810050890/zl2334Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811004466/jj2075Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The (4-nitro\u00adphen\u00adyl)cyanamide anions act as monodentate ligands. There is one classical inter\u00admolecular O\u2014H\u22efN hydrogen bond and several C\u2014H\u22efO hydrogen bonds are also observed.In the title compound, [Ni(C DOI: 10.1107/S1600536812009890/bt5812Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Fe atom is slightly closer to the substituted cyclo\u00adpenta\u00addienyl ring, with an Fe\u2013centroid distance of 1.6374\u2005(3)\u2005\u00c5 [1.6494\u2005(3)\u2005\u00c5 for the unsubstituted ring]. The amide group is essentially coplanar with the substituted cyclo\u00adpenta\u00addienyl ring, with an N\u2014C(O)\u2014C\u2014C torsion angle of 2.3\u2005(3)\u00b0.In the title compound, [Fe(C DOI: 10.1107/S1600536811026341/fj2441Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion is coordinated by four S atoms of two mnt2\u2212 ligands and exhibits a square-planar coordination geometry.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536812008161/tk5062Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "All the piperidine rings adopt chair conformations. In the crystal, the organic cations and the free chloride anions are linked into chains parallel to the a axis by N\u2014H\u22efCl hydrogen bonds.The asymmetric unit of the title salt, (C DOI: 10.1107/S1600536812017151/rz2733Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination sphere of the Zn atom is based on an octahedron with a significant distortion towards trigonal prismatic, the twist angle being 45.58\u2005(9)\u00b0. The crystal packing is formed by L and D anti\u00adpodes arranged in layers disposed parallel to the b axis. Strong O\u2014H\u22efO hydrogen bonding exists between the hy\u00addroxy groups of the ligand and the nitrate anion.In the complex cation of the title compound, [Zn(C DOI: 10.1107/S1600536811048094/yk2030Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048094/yk2030Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812033004/lr2073Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the cation, the pyridinium rings attached to the central 1-aza\u00adniumyl-2-hy\u00addroxy\u00adethane fragment show an anti conformation, as indicated by the central C\u2014C\u2014C\u2014C torsion angle of \u2212178.1\u2005(4)\u00b0, and they are inclined to one another by 25.7\u2005(2)\u00b0. In the crystal, the cations and anions are linked through N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds. There are also \u03c0\u2013\u03c0 contacts [centroid\u2013centroid distance = 3.788\u2005(3)\u2005\u00c5] and a number of C\u2014H\u22efO and C\u2014H\u22efCl inter\u00adactions are present, consolidating the formation of a three-dimensional structure.The asymmetric unit of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812050817/su2540Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The O atoms define the equatorial plane whereas both N atoms are in axial positions. The mononuclear units are linked through O\u2014H\u22efO hydrogen-bonding inter\u00adactions between the ethanol OH groups and the ethano\u00adlate O atom of a neighbouring complex into chains running parallel to [010].In the title complex, [Co(C DOI: 10.1107/S1600536810047100/wm2427Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion adopts a CuO2N3 distorted square-pyramidal coordination. An O\u2014H\u22efO hydrogen bond is formed between the methanol solvent mol\u00adecule and the hydrazide O atom of the L 2\u2212 ligand.The title mononuclear complex, [Cu(C DOI: 10.1107/S1600536811054316/kp2374Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(CH3)2(NCS)2(C12H8N2)], is located on a twofold rotation axis in a distorted octa\u00adhedral enviroment. The methyl groups are trans to each other [C\u2014Sn\u2014C = 175.7\u2005(3)\u00b0], whereas the thio\u00adcyanate groups are cis to each other.The Sn DOI: Click here for additional data file.10.1107/S1600536812047691/bt6862Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecules are connected into a three-dimensional architecture by O\u2014H\u22efO hydrogen bonds. The perchlorate anion is disordered over two positions; the major component has a site-occupancy factor of 0.525\u2005(19).In the structure of the title complex, [Ni(CH DOI: 10.1107/S1600536812007970/tk5060Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812007970/tk5060Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Pd\u2014P and Pd\u2014Cl bond lengths are 2.3366\u2005(7) and 2.2966\u2005(7)\u2005\u00c5, respectively. The vinyl group is disordered over two sets of sites in a 0.696\u2005(15):0.304\u2005(15) ratio.In the title compound, [PdCl R-P2PdCl2 compounds, see: Ogutu & Meijboom 2] = 0.041 wR(F 2) = 0.105 S = 1.07 2723 reflections205 parametersH-atom parameters constrainedmax = 1.66 e \u00c5\u22123 \u0394\u03c1min = \u22120.75 e \u00c5\u22123 \u0394\u03c1 APEX2 global, I. DOI: 10.1107/S1600536811044795/fi2114Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by van der Waals inter\u00adactions.The Sn atom in the title compound, [Sn(CH DOI: 10.1107/S160053681102561X/bx2356Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Zn(C5H10NS2)2(C12H8N2)], exists in a distorted cis-octa\u00adhedral N2S4 donor set defined by two chelating dithio\u00adcarbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C\u2014H\u22efS, C\u2014H\u22ef\u03c0(ZnS2C) and \u03c0\u2013\u03c0 [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955\u2005(13)\u2005\u00c5] inter\u00adactions.The Zn DOI: 10.1107/S1600536811012499/hb5835Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two 4,4\u2032-sulfanediyldipyridinium cations and two non-coordinating chloride anions are connected via N\u2014H\u22efCl hydrogen-bonding inter\u00adactions into 20-membered rings, in the middle of which are situated the [NiCl4]2\u2212 complex anions. These rings are stacked in the b-axis direction. The Ni2+ cation is located on a twofold rotation axis, whereas the chloride anions and the 4,4\u2032-sulfanediyldipyridinium cations occupy general positions.In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812050623/wm2703Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Pairs of CdII ions are bridged by two end-to-end inversely bridging \u03bc-NCS-N:S thio\u00adcyanate groups, forming a two-dimensional network with the remaining two trans positions of the octa\u00adhedrally coordinated CdII ions occupied by the N atoms of two neutral 2-meth\u00adoxy\u00adaniline ligands. The crystal structure is stabilized by intra\u00adlayer N\u2014H\u22efS hydrogen bonds.The structure of the title compound, [Cd(NCS) DOI: Click here for additional data file.10.1107/S1600536813010738/rz5058Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010738/rz5058Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In comparison with previous powder diffraction studies, anisotropic displacement parameters are additionally reported. The structure is composed of Se layers and two crystallographically independent Ag atoms. One Ag atom lies close to the Se layer and is surrounded by four Se atoms in a distorted tetra\u00adhedral coordination, while the second Ag atom lies between the Se layers and exhibits a [3\u00a0+\u00a01] coordination defined by three close Se atoms, forming a trigonal plane, and one remote Se atom.The crystal structure of the low-temperature form of synthetic naumannite [disilver(I) selenide], Ag DOI: 10.1107/S1600536811028534/wm2506Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO, N\u2014H\u22efCl, and O\u2014H\u22efCl inter\u00adactions, generating a three-dimensional network.In the title compound, [CoCl(CH DOI: Click here for additional data file.10.1107/S1600536813006442/bt6894Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two benzene rings of the biphenyl unit form a dihedral angle of 49.08\u2005(11)\u00b0. In the crystal, mol\u00adecules are linked into [100] chains by C\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536812018053/hb6749Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018053/hb6749Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonds between the amino group of 2-amino-6-methyl-1,3-benzothia\u00adzole and the carboxyl\u00adate group of 4-nitro\u00adbenzoate link these discrete mononuclear units into a one-dimensional supra\u00admolecular chain extending parallel to [100].In the title mononuclear complex, [Zn(C DOI: 10.1107/S1600536811022331/go2014Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4-methoxybenzenesulfonate anions act as bis-chelating and bridging ligands, forming a two-dimensional polymer parallel to (001), which is further linked into a three-dimensional network by weak C\u2014H\u22efO hydrogen bonds.In the title complex, [Na(C DOI: 10.1107/S1600536813025919/lh5648Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A zigzag chain structure is formed, extending along (001). Each chain is surrounded by three others which are inter\u00adconnected through weak C=O\u22ef\u03c0pyrid\u00adyl [O\u22efcentroid = 2.999\u2005(3)\u2005\u00c5] and \u03c0pyrid\u00adyl\u2013\u03c0pyrid\u00adyl inter\u00adactions [minimum ring centroid separation = 4.014\u2005(2)\u2005\u00c5], giving a three-dimensional framework. In the title polymer, [ZnCl DOI: 10.1107/S160053681104671X/zs2159Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810051342/bt5431Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cluster, the CaII atom is connected to two S atoms of an Fe2S2 core [Ca\u2014S = 2.7463\u2005(8) and 2.7523\u2005(8)\u2005\u00c5]. No Fe\u2014Ca bonds are formed [Fe\u22efCa = 3.6708\u2005(6) and 3.5802\u2005(6)\u2005\u00c5]. There are five close C\u2013H\u22efO\u2013C contacts in the crystal structure.Reaction between [Fe DOI: Click here for additional data file.10.1107/S1600536812048039/zl2517Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiII ion in the anion is coordinated by four S atoms of two maleonitrile\u00addithiol\u00adate ligands, and exhibits the expected square-planar coordination geometry.In the title compound, (C DOI: 10.1107/S1600536811027693/bh2362Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The layers are made up from chains of bicapped metal-centered trigonal prisms and zigzag Te chains. The metal site (site symmetry m2m) is occupied by statistically disordered Hf [78.1\u2005(5)%] and Ti [21.9\u2005(5)%]. In addition to the regular Te\u2014Te pair [2.7448\u2005(13)\u2005\u00c5] forming the short base of the equilateral triangle of the trigonal prism, an inter\u00admediate Te\u22efTe separation [2.9129\u2005(9)\u2005\u00c5] is also found. The classical charge balance of the compound can be described as [M4+][Te2\u2212][Te22\u2212][Te20] . The individual metal content can vary in different crystals, apparently forming a random substitutional solid solution (Hfx1-Tix)Te5, with 0.15 \u2264 x \u2264 0.22.The group 5 mixed-metal telluride, Hf DOI: 10.1107/S1600536812006691/wm2588Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Z\u2032 = 2) in the asymmmetric unit of the title compound, [CuBr(C16H32N4)]Br\u00b72H2O. The title crystal consists of two [Cu(C16H32N4)]2+ cations, two Br\u2212 anions and four uncoordinated water mol\u00adecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu\u2014Br bond [2.9734\u2005(11) and 2.9229\u2005(11)\u2005\u00c5 in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N\u2014H and O\u2014H and Br\u2212. In addition, there is a network of N\u2014H\u22efBr, O\u2014H\u22efBr and N\u2014H\u22efO hydrogen bonds, leading to the formation of a chain structure.There are two formula units ( DOI: 10.1107/S1600536811012852/bv2173Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In contrast to the first polymorph , the current study revealed monoclinic symmetry for the second polymorph. The configuration of the tetra\u00adhedral mol\u00adecule shows approximate sC symmetry. Strong O\u2014H\u22efO hydrogen bonds connect the mol\u00adecules to infinite zigzag chains along [010], which are further connected by weak inter\u00admolecular C\u2014H\u22efO contacts into a three-dimensional network.The title compound, C DOI: 10.1107/S1600536811025505/wm2504Isup2.cdx Supplementary material file. DOI: 10.1107/S1600536811025505/wm2504Isup3.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811025505/wm2504Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "I(C13H11N2O2)]n, the CuI atom exists in a trigonal\u2013planar geometry that is defined by the C=C unit, the imidazole N atom and carboxyl\u00adate O atoms from three different ozagrel ligands, resulting in the formation of a three-dimensional framework.In the coordination polymer, [Cu DOI: 10.1107/S1600536811015005/ng5155Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Fe atom is six-coordinated by two thiol\u00adate S atoms, two phosphane P atoms and two carbonyl C atoms in a distorted octa\u00adhedral geometry. The average Fe\u2014C(O) distance (1.771\u2005\u00c5) is relatively shorter than that of its parent hexa\u00adcarbonyl\u00addiiron compound, and differs by 0.511\u2005\u00c5 from the average Fe\u2014P(Me)3 distance. The five-membered FeC2S2 chelate ring plane is close to being perpendicular to the P/Fe/P plane [86.5\u2005(2)\u00b0].The title compound, [Fe(C DOI: 10.1107/S1600536811048574/kp2368Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HgII ion shows a distorted tetra\u00adhedral geometry, being surrounded by two N atoms from two nnh ligands and two chloride ions. Due to the bridging role of nnh, the HgII atoms are connected into polymeric chains along the c axis, which are further inter\u00adlinked via N\u2014H\u22efO and C\u2014H\u22efCl hydrogen-bonding inter\u00adactions, forming a three-dimensional network.The title complex, [HgCl N-donor heterocyclic groups, see: Zhang & Chen ] = 0.016wR(F2) = 0.038S = 1.091288 reflections96 parametersH-atom parameters constrainedmax = 0.52 e \u00c5\u22123\u0394\u03c1min = \u22120.57 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812008884/hp2029Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligands form a slightly distorted square-planar coordination environment for the Rh(I) atom. An intra\u00admolecular P\u2013Rh\u2013P bite angle of 83.91\u2005(2)\u00b0 is observed. The dihedral angle between the P\u2014Rh\u2014P and the X\u2014Rh\u2014X planes (X is the centroid of a double bond) is 14.0\u2005(1)\u00b0. The BF4 anion is disordered over two positions in a 0.515\u2005(7):0.485\u2005(7) ratio.The title compound, [Rh(C DOI: 10.1107/S1600536810039577/si2281Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cl\u2014Cu\u2014N angles of 90.55\u2005(9) and 89.45\u2005(9)\u00b0 are close to ideal values. In the crystal, weak \u03c0\u2013\u03c0 stacking inter\u00adactions are observed between inversion-related benzene rings [centroid\u2013centroid distance = 4.0028\u2005(6)\u2005\u00c5].In the title compound, [CuCl DOI: 10.1107/S1600536812015486/bh2425Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SmIII ion is ten-coordinate, chelated by four O donor atoms of the Schiff base and two O atoms each from three bidentate nitrate groups, one of which is disordered over two sites in a 0.55\u2005(7):0.45\u2005(7) ratio.In the monomeric dinuclear title complex, [CuSm(C DOI: 10.1107/S1600536811031138/zs2129Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The planar Ni\u2013salen moieties form parallel stacks in the a-axis direction, with alternating Ni\u22efNi separations of 3.5339\u2005(7) and 3.6165\u2005(7)\u2005\u00c5. In the crystal, there are weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions involving the dimethyl\u00adformamide O and phenolate O atoms.In the title compound, [Ni(C DOI: 10.1107/S1600536811004818/tk2717Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Pb(C10H6NO2)2], is N,O-chelated by two quinoline-2-carboxyl\u00adate anions in a distorted \u03a8-trigonal\u2013bipyramidal environment; four atoms are connected to the PbII atom by regular coordination bonds. The structure also features two somewhat long Pb\u22efO inter\u00adactions [2.952\u2005(3) and 3.014\u2005(3)\u2005\u00c5]. These long inter\u00adactions give rise to a layer coordination polymer having the lead atom in a distorted \u03a8-monocapped octa\u00adhedral geometry.The Pb DOI: 10.1107/S1600536810027509/xu2797Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IICl2(C6H10N2)2], a pair of 3,4,5-trimethyl\u00adpyrazoles act as monodentate ligands. Two Cl\u2212 anions are also bonded directly to the CoII atom, which has a CoN2Cl2 chromophore in a slightly distorted tetra\u00adhedral geometry. The two mol\u00adecules in the asymmetric unit are related by an approximate twofold rotation roughly parallel to the a axis. The amino H atom in the pyrazole ring participates in weak N\u2014H\u22efCl hydrogen bonds to form chains that propagate roughly parallel to the c axis.In the title compound, [Co DOI: 10.1107/S160053681003254X/ng5017Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title organotin dithio\u00adcarbamate, [Sn(C6H5)2(C11H14NS2)Cl], is penta-coordinated by an asymmetrically coordinating dithio\u00adcarbamate ligand, a Cl and two ispo-C atoms of the Sn-bound phenyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter\u00admediate between square-pyramidal and trigonal-bipyramidal with a slight tendency towards the latter. The formation of close intra\u00admolecular C\u2013H\u22efCl and C\u2013H\u22efS contacts precludes the Cl and S atoms from forming significant inter\u00admolecular contacts. The presence of C\u2013H\u22ef\u03c0 contacts leads to the formation of supra\u00admolecular arrays that stack along the b axis.The Sn DOI: 10.1107/S1600536810031636/su2203Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the two independent AuIII ions lies on an inversion center and has a distorted square-planar geometry. In the crystal, inter\u00admolecular C\u2014H\u22efCl hydrogen bonds, \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.5548\u2005(16) and 3.7507\u2005(16)\u2005\u00c5] and Au\u22ef\u03c0 inter\u00adactions [Au\u22efcentroid distance = 3.6424\u2005(10)\u2005\u00c5] are effective in the stabilization of the structure, resulting in the formation of a supra\u00admolecular structure. Intra\u00admolecular N\u2014H\u22efN hydrogen bonds are present in the cation.In the title compound, (C DOI: 10.1107/S1600536811036208/hy2466Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C4H9)2(C9H16NS2)2], is chelated by the two dithio\u00adcarbamate ions in a six-coordinate skew-trapezoidal-bipyramidal geometry. The two butyl groups are disordered over two positions in a 1:1 ratio.The Sn DOI: 10.1107/S1600536810027303/zs2050Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent SnIV atoms are bridged by the ligands, thereby forming a chain propagating in [010]. In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536811049713/hb6523Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging function of the Cl\u2212 anions leads to polymeric chains running along the a axis. One Hg\u2014Cl bond is much longer than the other. In the crystal, O\u2014H\u22efO and weak C\u2014H\u22efCl hydrogen bonds are observed.In the title compound, [HgCl DOI: 10.1107/S1600536812012986/xu5491Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bond lengths and angles are similar in both structures. The mol\u00adecule in both structures lies on a crystallographic inversion center and both have an inter\u00adnal hydrogen bond. The title compound crystallizes in the space group P21/c (Z = 2), whereas compound (II) is in the space group P21/n (Z = 2) with a similar cell volume but different cell parameters. In both polymorphs, mol\u00adecules are arranged in the layers but in contrast to the previously published compound (II) where the dihedral angle between the layers is 86.3\u00b0, in the title polymorph the same dihedral angle is 29.4\u00b0. The structure of (I) is stabilized by strong intra\u00admolecular O\u2014H\u22efO hydrogen bonding between the O\u2014H group and the phenolate O atom.The title compound, [Ni(C DOI: 10.1107/S1600536811001383/br2156Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron of the Cu2+ cation is a square-pyramid, with the aqua ligand at the apex. The compound exhibits a three-dimensional structure, which is is stabilized by O\u2014H\u22efO and O\u2014-H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 2.987\u2005(3)\u2005\u00c5].In the title compound, [Cu(C DOI: 10.1107/S1600536812021447/hg5211Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination polyhedron of the FeIII atoms can be described as distorted octa\u00adhedral, with four Fe\u2014O, one Fe\u2014N and one Fe\u2014Cl coordination bonds. The L ligand is not planar, the dihedral angle between the 2-(oxidometh\u00adyl)phen\u00adyl]imino and 4-nitro-2-(imino\u00admeth\u00adyl)phenolate planes being 48.54\u2005(9)\u00b0. The solvent DMSO molecule is disordered over two orientations with equal occupancy.In the centrosymmetric dimeric title complex, [Fe DOI: 10.1107/S1600536812017424/br2198Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure displays O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, which connect the components into an extended three-dimensional network.In the title complex, [Ni(C DOI: 10.1107/S1600536813032169/jj2177Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "II ion in the title complex, [PtCl2(C14H10N4)], is four-coordinated in a distorted square-planar environment by two N atoms of a chelating 2,3-di-2-pyridyl\u00adpyrazine ligand and two chloride anions. The pyridyl ring coordinated to the PtII atom is inclined slightly to its carrier pyrazine ring [dihedral angle = 13.5\u2005(1)\u00b0], whereas the uncoordinated pyridyl ring is inclined considerably to the pyrazine ring [dihedral angle = 54.3\u2005(2)\u00b0]. The dihedral angle between the two pyridyl rings is 59.2\u2005(2)\u00b0. In the crystal, the complexes are assembled through inter\u00admolecular C\u2014H\u22efN and C\u2014H\u22efCl hydrogen bonds, forming a three-dimensional network. Intra\u00admolecular C\u2014H\u22efN and C\u2014H\u22efCl hydrogen bonds are also present.The Pt DOI: 10.1107/S1600536811038906/tk2794Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central O atom is located on a crystallographic fourfold roto-inversion axis. Each CuII atom is coordinated by an N atom of a neutral monodentate 3-methyl-5-phenyl\u00adpyrazole ligand, three Cl\u2212 anions, and one O2\u2212 anion. The geometry at each CuII atom is distorted trigonal\u2013bipyramidal, with the three Cl\u2212 ions in the equatorial plane and the N and O atoms in the axial positions.The title compound, [Cu DOI: 10.1107/S1600536810053663/is2649Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is isotopic with members of the series MCa10(PO4)7 , and is closely related to the structure of \u03b2-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octa\u00adhedron (site symmetry 3.) and three PO4 tetra\u00adhedra (one with site symmetry 3.). The Ag+ cation is likewise located on a threefold rotation axis and resides in the cavities of the rigid [Ca10(PO4)7]\u2212 framework. It is surrounded by three O atoms in an almost regular triangular environment.Polycrystalline silver(I) deca\u00adcalcium heptakis(orthophos\u00adphate), AgCa DOI: Click here for additional data file.10.1107/S1600536813007848/wm2726Isup2.rtvRietveld powder data: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carboxyl\u00adate groups of the nitro\u00adphthalate anion adopt a syn\u2013anti bridging mode, linking adjacent CdII cations and forming a polymeric chain running along the a axis. Weak intra- and inter\u00admolecular C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title polymeric compound, [Cd(C DOI: 10.1107/S1600536811000468/xu5128Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging ligand, which is completed by crystallographic inversion symmetry, links the ZnII atoms into zigzag chains propagating in [101]. Within the ligand, the dihedral angle between the central benzene ring and terminal imidazole ring is 27.82\u2005(13)\u00b0.In the title one-dimensional coordination polymer, [ZnCl DOI: 10.1107/S1600536810044429/hb5712Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by strong and weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds, as well as weak centroid\u2013centroid \u03c0-stacking inter\u00adactions [centroid\u2013centroid separation = 3.526\u2005(3)\u2005\u00c5].In either of the two independent mol\u00adecules within the asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810032472/jj2044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In addition to N\u2014H\u22efCl hydrogen bonds creating infinite chains along [001], several C\u2014H\u22efCl inter\u00adactions are observed in the crystal structure.In the title compound, [PdCl DOI: 10.1107/S1600536812032308/bt5968Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging function of the Br\u2212 anions leads to a polymeric chain running along the c axis. Weak C\u2014H\u22ef\u03c0 inter\u00adactions observed between adjacent chains are effective in the stabilization of the three-dimensional packing.In the crystal of the title polymeric compound, [CdBr DOI: Click here for additional data file.10.1107/S1600536812046636/xu5649Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The [Co(H2O)6]2+ cations form unconnected octa\u00adhedra. Sulfate anions inter\u00adcalated between cationic species connect them via N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds and electrostatic inter\u00adactions.In the title compound, (C DOI: 10.1107/S1600536811027012/dn2704Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands link the CdII ions into a ribbon-like structure running along [201]. One O atom of the nitrate anion is disordered over two positions with site-occupancy factors of 0.59\u2005(2) and 0.41\u2005(2).In the title compound, [Cd(NO DOI: 10.1107/S1600536811032697/hy2453Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title complex, [Ni(C16H13BrN2O2)(C5H5N)], is in a square-planar trans-N2O2 environment defined by the NO2 donor atoms of the tridentate hydrazone ligand and the monodentate pyridine ligand. The pyridine mol\u00adecule forms a dihedral angle of 9.99\u2005(11)\u00b0 with the least-squares plane through the NiN2O2 atoms.The central Ni DOI: 10.1107/S1600536811029114/tk2766Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029114/tk2766Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the phenyl rings and the pyrazine ring are 9.56\u2005(14) and 58.99\u2005(14)\u00b0 for one mdpp ligand and 9.34\u2005(14) and 79.94\u2005(15)\u00b0 for the other.In the title complex, [Ir(C DOI: 10.1107/S1600536812006022/hy2507Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecules are linked by O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds. Two types of \u03c0\u2013\u03c0 stacking inter\u00adactions occur between the TPTZ ligands of adjacent complexes [centroid-to-centroid distances = 3.760\u2005(4) and 3.870\u2005(3)\u2005\u00c5].In the title compound, [Nd(NO DOI: 10.1107/S1600536811014589/ff2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two perchlorate anions are disordered over two sites with a refined occupancy ratio of 0.528\u2005(19):0.472\u2005(19).In the title compound, [Ni(C DOI: 10.1107/S1600536810051627/nk2079Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Coordinated and uncoordinated water mol\u00adecules form O\u2014H\u22efO hydrogen bonds, leading to a three-dimensional framework.In the title compound, [Zn(C DOI: 10.1107/S1600536810017538/is2541Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A twofold rotation axis passes through the Co and S atoms, and through the mid-point of the C\u2014C bond of the ethane\u00addiol mol\u00adecule. In the crystal, the [CoSO4(C10H8N2)2] and C2H6O2 units are held together by a pair of O\u2014H\u22efO hydrogen bonds.The title compound, [Co(SO DOI: 10.1107/S1600536810050592/bt5423Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure consists of two-dimensional sheets constructed from centrosymmetric cyclic [V4O12]4\u2212 anions covalently bound through O to [Cu(imidazole)4]2+ cations. Adjacent sheets are linked by N\u2014H\u22efO hydrogen bonds and weak C\u2014H\u22ef\u03c0 inter\u00adactions (H\u22efcentroid distances = 2.59, 2.66, 2.76, 2.91 and 2.98\u2005\u00c5 into a three-dimensional supra\u00admolecular network. In the title inorganic\u2013organic hybrid compound, [Cu DOI: 10.1107/S1600536812008252/hy2518Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812008252/hy2518Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One carboxyl\u00adate dianion binds to a monoaqua-coordinated metal ion through the aliphatic carboxyl\u00adate end and to the diaqua-coordinated metal ion through the aromatic carboxyl\u00adate end; the other dianion binds in the reverse manner. Three of the four carboxyl\u00adate ends of the two dianions are also engaged in bridging inter\u00adactions; these lead to a layer structure parallel to (100). Adjacent layers are linked by O\u2014Hwater\u22efO hydrogen bonds into a three-dimensional network.The coordination polymer [Zn DOI: 10.1107/S1600536812003200/bt5797Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The components are evidently connected by hydrogen bonds but in the presence of heavy atoms water H atoms have not been located. The complex cation and one of the two independent iodide anions are located on a twofold axis.The title compound, [Pr(H DOI: 10.1107/S1600536811054663/rk2319Isup2.molSupplementary material file. DOI: 10.1107/S1600536811054663/rk2319Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atom lies 0.065\u2005(1)\u2005\u00c5 above the N2O2 plane and the Cu\u2014O [2 \u00d7 1.945\u2005(2)\u2005\u00c5] and Cu\u2014N bond lengths [1.968\u2005(3) and 1.962\u2005(3)\u2005\u00c5] lie in expected ranges. The two aromatic ring planes make a dihedral angle of 85.48\u2005(1)\u00b0.The mol\u00adecular structure of the title compound, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812046387/aa2076Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure contains a four-coordinate Cd2+ ion in a distorted tetra\u00adhedral geometry, which lies on a crystallographic twofold rotation axis. The Cd2+ ion is bonded to two N atoms from two pyridine ligands and two carboxyl\u00adate O atoms from two 5-amino-2,4,6-triiodo\u00adisophthalate anions. The Cd\u2014O distances are 2.429\u2005(5) and 2.305\u2005(5)\u2005\u00c5 and the Cd\u2014N distance is 2.236\u2005(8)\u2005\u00c5. The two carboxyl\u00adate groups of individual 5-amino-2,4,6-triiodo\u00adisophthalate anions act as a bridge to the Cd2+ atoms. leading to a chain structure along the c axis.The hydro\u00adthermal reaction of cadmium(II) nitrate with 5-amino-2,4,6-triiodo\u00adisophthalic acid and pyridine in DMF solution leads to the formation of the title compound, [Cd(C DOI: 10.1107/S1600536810039498/si2296Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom is five-coordinated in a trigonal\u2013bipyramidal geometry by the tridentate chelating fctpy ligand and two Cl atoms.The title complex, [FeZn(C Cl2(C20H14N3)]\u00b7C2H3N = 0.050 wR(F 2) = 0.131 S = 1.02 4938 reflections317 parametersH-atom parameters constrainedmax = 0.77 e \u00c5\u22123 \u0394\u03c1min = \u22120.40 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811024950/jh2301Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal-coordinated pyridine rings are almost coplanar, making a dihedral angle of 1.5\u2005(2)\u00b0, while the two pendent pyrazine rings are arranged on the same side of the N\u2014Ag\u2014N line. Along the a axis, the mononuclear coordination units are stacked with \u03c0\u2013\u03c0 inter\u00adactions between the pyridine rings [centroid\u2013centroid distance = 3.569\u2005(4)\u2005\u00c5], leading to infinite chains. The chains are inter\u00adconnected through inter\u00admolecular N(pyrazine)\u22ef\u03c0(pyrazine) inter\u00adactions forming layers parallel to the ab plane [N\u22efcentroid = 3.268\u2005(5)\u2005\u00c5]. These layers are further stacked along the c-axis direction, furnishing a three-dimensional supra\u00admolecular framework with the tetra\u00adfluoridoborate anions embedded within the inter\u00adstices.In the title mononuclear complex, [Ag(C DOI: 10.1107/S1600536811051270/zq2141Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two O and two S atoms are mutually cis to each other. The Cu\u2014S and Cu\u2014O bond lengths lie within the ranges of those found in related structures. The dihedral angle between the planes of the two chelating rings is 26.15\u2005(6)\u00b0.In the title compound, [Cu(C DOI: 10.1107/S160053681101422X/bt5517Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The porphyrinate core exhibits a nearly planar conformation [maximum deviation = 0.027\u2005(3)\u2005\u00c5], with Cu\u2014N distances of 1.997\u2005(2) and 2.001\u2005(2)\u2005\u00c5. The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02\u2005(8) and 77.02\u2005(6)\u00b0 with respect to the mean plane of the porphyrin fragment. The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy.In the title compound, [Cu(C DOI: 10.1107/S1600536811043698/lx2202Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonding leads to the formation of layers parallel to (100).The title salt, [Ru(Tp)(CH DOI: Click here for additional data file.10.1107/S1600536812042110/ng5297Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811011226/ru2002Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the PbII atoms is coordinated by one pyridine N and four carboxyl\u00adate O atoms from the ptc trianion and a hydroxide O atom in a distorted octa\u00adhedral geometry. The other PbII atom is five-coordinated by three carboxyl\u00adate O atoms and two hydroxide O atoms in a distorted tetra\u00adgonal\u2013pyramidal geometry. Four neighbouring PbII atoms are bridged through two \u03bc3-hydroxide ligands, forming the centrosymmetric Pb4(OH)2 core. The three-dimensional structure is further achieved through bridging carboxyl\u00adate groups. There are also O\u2014H\u22efO hydrogen bonds between the hydroxide ligand and the carboxyl\u00adate group.The asymmetric unit of the title coordination polymer, [Pb DOI: 10.1107/S1600536810049275/is2628Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, each palladium dimer is accompanied by a dichloro\u00admethane solvent mol\u00adecule. Coordination of the carbonate and chelated phosphane ligands gives distorted square-planar environments at the Pd atoms. Important geometrical parameters include Pd\u2014P(av.) = 2.2135\u2005(4)\u2005\u00c5, Pd\u2014C(av.) = 1.9648\u2005(16)\u2005\u00c5 and P\u2014Pd\u2014C = 84.05\u2005(5) and 87.98\u2005(5)\u00b0, and O\u2014Pd\u2014O\u2032 = 60.56\u2005(4) and 61.13\u2005(4)\u00b0. Bonding with the carbonate O atoms shows values of 2.1616\u2005(11) and 2.1452\u2005(11)\u2005\u00c5 for the Pd\u2014O\u2014Pd bridge, whereas other Pd\u2014O distances are slightly longer at 2.2136\u2005(11) and 2.1946\u2005(11)\u2005\u00c5. One of the tert-butyl groups is disordered over two set of sites with an occupancy ratio of 0.723\u2005(6):0.277\u2005(6). Weak C\u2014H\u22efO interactions are observed propagating the molecules along the [100] direction. The title compound, [(\u03bc DOI: Click here for additional data file.10.1107/S1600536812048702/yk2080Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The RbI and KI ions, which are disordered with respect to each other in a 1:1 ratio, occupy sites within the channels of the framework. The RbI/KI and MnII atoms occupy positions of 2 symmetry, as does one of the two P atoms. The RbI/KI site is surrounded by six O atoms [2.996\u2005(2)\u20133.178\u2005(4)\u2005\u00c5] in an irregularly-shaped coordination environment. O\u2014H\u22efO hydrogen bonds between the water molecules and phosphate O atoms consolidate the crystal packing.The title manganese(II) substituted gallophosphate, K DOI: 10.1107/S160053681101258X/br2164Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex, two PdII atoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdII atom and a cyclo\u00admetallated four-membered ring. The Pd2Cl2 unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36\u2005(11)\u00b0.The asymmetric unit of the title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812051136/kj2217Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A chain along the c axis is formed by C\u2014H\u22efN hydrogen-bonding inter\u00adactions and a weak \u03c0\u2013\u03c0 inter\u00adaction is observed between the pyrimidine rings of two adjacent parallel chains [centroid\u2013centroid distance = 3.722\u2005(2)\u2005\u00c5]. N\u2014H\u22efCl, CN\u2014H\u22efCl and N\u2014H\u22efO interactions also occur. In the title compound, (C DOI: 10.1107/S1600536811045995/vn2019Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Extensive inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds lead to the stability of the crystal structure. Inter\u00adactions between one C\u2014H group of the 2,3-diamino\u00adpyridinium [+] cation and the aromatic ring of the pyridine-2,6-dicarboxyl\u00adate (pydc) ligand (C\u2014H\u22efcentroid distance = 2.78\u2005\u00c5) and \u03c0\u2013\u03c0 inter\u00adactions between the + cations and between the + cation and the pydc ligand [centroid\u2013centroid distances = 3.489\u2005(5) and 3.694\u2005(5)\u2005\u00c5] are observed.In the centrosymmetric dinuclear complex anion of the title compound, (C DOI: 10.1107/S1600536811005629/hy2406Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine and benzene rings of adjacent mol\u00adecules, with a centroid\u2013centroid distance of 3.829\u2005(2)\u2005\u00c5.In the title centrosymmetric dinuclear complex, [Eu DOI: 10.1107/S1600536810046131/hy2358Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic ligands link inorganic MnII nodes, forming a zigzag chain along the c axis.In the title compound, [Mn(C DOI: 10.1107/S1600536810045587/jh2224Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine and imidazole rings is 62.09\u2005(12)\u00b0. The crystal structure is stabilized by N\u2014H\u22efCl and C\u2014H\u22efCl inter\u00adactions involving the chloride anion. The pyridine N and the chloride atoms are not involved in inter\u00admolecular inter\u00adactions.The title compound, C DOI: 10.1107/S1600536811053487/gg2070Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811053487/gg2070Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one complex cation, two hexa\u00adfluorido\u00adphosphate anions and one diethyl ether solvent mol\u00adecule in general positions. Although quite a large number of ruthenium complexes of the facially coordinating tridentate Tpm ligand have been structurally characterized, this is only the second one containing three pyridyl co-ligands. The average Ru\u2014N(Tpm) distance is 2.059\u2005(12)\u2005\u00c5, while the average Ru\u2014N(dmap) [dmap = 4-(di\u00admethyl\u00adamino)\u00adpyridine] distance is somewhat longer at 2.108\u2005(13)\u2005\u00c5. The orientation of the dmap ligands varies greatly, with dihedral angles between the pyridyl and opposite pyrazolyl rings of 14.3\u2005(2), 23.2\u2005(2) and 61.2\u2005(2)\u00b0.In the title compound, [Ru(C DOI: 10.1107/S1600536813025245/nc2317Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the guanidinate-bridged THF-stabilized dimer the Li\u22efLi separation is short at 2.479\u2005(8)\u2005\u00c5.In the dinuclear centrosymmetric title complex, [Li DOI: 10.1107/S1600536810046477/jj2061Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N-methyl\u00adformamido substituent is twisted by 54.9\u2005(1)\u00b0 with respect to the naphthalene fused-ring system; the two fused-ring systems are themselves twisted by 70.3\u2005(1)\u00b0.The mol\u00adecule of the title compound, C DOI: 10.1107/S160053681104640X/xu5377Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104640X/xu5377Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom, which lies on a twofold rotation axis, displays a square-pyramidal coordination. The dihedral angles of the 1,10-phenanthroline ligand with respect to the furan rings of the carboxyl\u00adate anions that are connected to the metal atom are 62.18\u2005(11) and 88.27\u2005(12)\u00b0.The polymeric title compound, [Cu(C DOI: 10.1107/S160053681203111X/ng5281Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the structure, centrosymmetrically related mol\u00adecules are linked into dimers by pairs of C\u2014H\u22efN hydrogen bonds.In title compound, C DOI: 10.1107/S1600536813031152/rz5092Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031152/rz5092Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the Fe atoms is also coordinated to three carbonyl ligands and the other to two carbonyl ligands and one phosphane ligand [Ph2PP(O)Ph2]. Both Fe-atom geometries could be described as grossly distorted octa\u00adhedral and the Ph2PP(O)Ph2 ligand lies trans to the Fe\u22efFe link.The dinuclear title compound, [Fe DOI: 10.1107/S1600536811042139/hb6442Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811008488/xu5157Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other two nitrate O atoms also bind to the Cu atom with long Cu\u2014O distances [2.607\u2005(4) and 2.853\u2005(5)\u2005\u00c5]. The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(NO DOI: 10.1107/S1600536811055772/hy2498Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cyclo\u00adhexyl ring and one of the phenyl rings display 0.630\u2005(7):0.37\u2005(7) and 0.60\u2005(2):0.40\u2005(2) positional disorder, respectively. The dichloro\u00admethane solvent mol\u00adecule displays 0.526\u2005(4):0.474\u2005(4) positional disorder. C\u2014H\u22efF hydrogen bonds stabilize the crystal packing.In the title compound, [Pt(C DOI: 10.1107/S1600536810028795/hy2330Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(CH3)2(C17H14N2O3)], is five-coordinated within a C2N2O donor set provided by the N,N,O-tridentate ligand and two methyl groups. The resultant coordination geometry is inter\u00admediate between trigonal-bipyramidal and square-pyramidal. In the crystal, supra\u00admolecular zigzag chains propagating along the c- axis direction are mediated by O\u2014H\u22efO hydrogen bonds, and weak C\u2014H\u22ef\u03c0 inter\u00adactions consolidate the packing.The Sn DOI: 10.1107/S1600536811023506/hb5915Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two independent TbIII atoms in the structure, one of which is nine-coordinated, forming a monocapped NO8 square-anti\u00adprism and the other is eight-coordinated exhibiting a 4,4-bicapped NO7 trigonal\u2013prismatic environment. The complex units are inter\u00adconnected through the ptc3\u2212 anions acting in different coordination modes, resulting in a three-dimensional coordin\u00adation polymer. The crystal structure features extensive O\u2014H\u22efO hydrogen bonds. The three-dimensional title coordination polymer, {[Tb For rel al. 2011. 2(C8H2NO6)2(H2O)5]\u00b7H2O = 0.020wR(F2) = 0.045S = 1.204912 reflections344 parametersH-atom parameters constrainedmax = 1.07 e \u00c5\u22123\u0394\u03c1min = \u22121.34 e \u00c5\u22123\u0394\u03c1RAPID-AUTO global, I. DOI: 10.1107/S1600536812032898/bg2463Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each YbIII ion is eight-coordinated by two O atoms from two bridging L ligands, four O atoms from two chelating L groups and two N atoms from one chelating phen mol\u00adecule in a distorted YbN2O6 dodeca\u00adhedral geometry.In the centrosymmetric binuclear title complex, [Yb DOI: 10.1107/S1600536811036105/wm2528Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The unsubstituted ring is disordered over two positions with the major component being present 90\u2005(1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth\u00adoxy\u00adcarbonyl group form a conjugated \u03c0-system. These 13 atoms are coplanar within 0.09\u2005\u00c5.The title compound, [Fe(C For mod al. 2007, 2009 \u25b6.5H5)(C17H16N3O2)] = 0.025 wR(F 2) = 0.068 S = 1.05 3852 reflections261 parametersH-atom parameters constrainedmax = 0.23 e \u00c5\u22123 \u0394\u03c1min = \u22120.16 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXTL global, I. DOI: 10.1107/S160053681105238X/im2331Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central ZnII ion is six-coordinated by six N atoms from three phen ligands in a distorted octa\u00adhedral geometry. An extensive O\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efCl hydrogen-bonding network stabilizes the crystal structure.The asymmetric unit of the title salt, [Zn(C DOI: 10.1107/S1600536811000729/hg2778Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The imidazole and benzene rings make a dihedral angle of 73.1\u2005(9)\u00b0. In the crystal, non-classical inter\u00admolecular C\u2014H\u22efBr hydrogen bonds link the ion pairs into a two-dimensional network.In the title compound, C DOI: 10.1107/S1600536810031934/om2353Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The L ligands are bridging, forming a layered polymer parallel to (010). In the crystal, O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds connect the polymer layers into a three-dimensional network. In the title compound, [Ce(C H-benzimidazole-5,6-dicarboxyl\u00adate complexes and for related structures, see: Gao et al. (C2H3O2)(H2O)] = 0.023wR(F2) = 0.054S = 1.052321 reflections203 parameters130 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.74 e \u00c5\u22123\u0394\u03c1min = \u22120.59 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812017503/lh5440Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The non-coordinating thione S atoms are each proximate to the SnIV atom [3.0136\u2005(7) and 2.9865\u2005(8)\u2005\u00c5], giving rise to distortions from the ideal geometry as evident in the wide C\u2014Sn\u2014C bond angle of 139.06\u2005(12) \u00b0. In the crystal, C\u2014H\u22efS inter\u00adactions lead to the formation of a linear supra\u00admolecular chain along the b axis. The chains are aligned into layers by C\u2014H\u22ef\u03c0 inter\u00adactions, and the layers stack along [001]. One of the ethyl groups is statistically disordered over two sets of sites.The title compound, [Sn(C DOI: 10.1107/S160053681105392X/hb6565Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The eight-coordinate [Mo(CN)8]3\u2212 unit exhibits a slightly distorted square-anti\u00adprismatic geometry. In the structure, the cations and anions are arranged alternately by N\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O\u2014H\u22efN hydrogen bonds, generating a three-dimensional supra\u00admolecular network.The crystal structure of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813002985/rz5039Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Three ethyl groups in the complex cation and the O atoms of the uncoordinated nitrate anion are disordered over two sets of positions . In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonds connect the complex cations into a zigzag chain along [010] and further N\u2014H\u22efO hydrogen bonds between the chains and the uncoordinated nitrate anions lead to layers parallel to (100).In the title compound, [Ni(NO DOI: 10.1107/S1600536811001000/hy2393Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average terminal and bridging Ge\u2014S bond lengths are 2.162\u2005(7) and 2.267\u2005(15)\u2005\u00c5, respectively. The inorganic anions and organic cations are organized into a three-dimensional network by numerous N\u2014H\u22efS hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536812030334/gk2485Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A \u03c0\u2013\u03c0 inter\u00adaction between adjacent pyridine rings [centroid\u2013centroid distance = 3.773\u2005(1)\u2005\u00c5] further stablizes the dimer.In centrosymmetric dinuclear title compound, [Cd DOI: 10.1107/S1600536811037858/ng5223Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging atoms occupy equatorial positions in the coordination sphere of the metal atoms and complete the equatorial coordination planes with two ligand N atoms, the apical positions being occupied by thio\u00adcyanate N atoms. The crystal structure also features \u03c0\u2013\u03c0 stacking inter\u00adactions involving the benzene rings with a centroid\u2013centroid distance of 3.764\u2005(4)\u00c5. The crystal studied was a non-merohedral twin, with a refined BASF value of 0.203\u2005(2)In the title compound, [Cu DOI: 10.1107/S1600536813024768/bx2448Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination environment of the UVI atom (N2O5) is distorted penta\u00adgonal\u2013bipyramidal. In the crystal, all amino groups are involved in the formation of N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds, which link cations and anions into layers parallel to the ac plane.In the title compound, (CH DOI: 10.1107/S1600536812035465/cv5297Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "For the synthesis, structures and properties of dicyanamide coordination compounds, see: Wriedt & N\u00e4ther 2011.2N3)2(C4H4N2)4] = 0.048wR(F2) = 0.097S = 1.012142 reflections161 parametersH-atom parameters constrainedmax = 0.51 e \u00c5\u22123\u0394\u03c1min = \u22120.52 e \u00c5\u22123\u0394\u03c1X-AREA used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812018363/bt5900Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "MnU8S17 crystallizes in the space group C2/m in the CrU8S17 structure type. The asymmetric unit is composed of the following atoms with site symmetries shown: U1 (1), U2 (m), U3 (m), Mn1 (2/m), S1 (1), S2 (1); S3 (m), S4 (m), S5 (m), S6 (m) and S7 (2/m). The three UIV atoms are each coordinated by eight S atoms in a bicapped trigonal\u2013prismatic arrangement. The MnII atom is coordinated by six S atoms in a distorted octa\u00adhedral arrangement.Single crystals of manganese(II) octa\u00aduranium(IV) hepta\u00addeca\u00adsulfide, MnU DOI: 10.1107/S1600536811030546/wm2512Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, a dimeric structure is observed as a result of N\u2014H\u22efCl inter\u00adactions between two symmetry-related mol\u00adecules.The single-crystal X-ray structure analysis of [RuCl DOI: 10.1107/S1600536811043170/ff2034Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate ion and the N-heterocycle both function as bridges to link adjacent CdII atoms to result in the formation of a layer structure parallel to (010). The mid-point of the central C\u2014C bond of the 4,4\u2032-bipyridine ligand is located on an inversion center. In the crystal, the carboxyl\u00adate ion is disordered over a twofold rotation axis in respect of its methyl group and the cyclo\u00adpentane ring.In the title polymeric compound, [Cd(C R,3S)-1,2,2-trimethyl\u00adcyclo\u00adpentane-1,3-dicarb\u00adoxy\u00adlic acid, see: Adhya et al. (C10H8N2)] = 0.054 wR(F 2) = 0.171 S = 1.12 2364 reflections150 parameters51 restraintsH-atom parameters constrainedmax = 1.03 e \u00c5\u22123 \u0394\u03c1min = \u22121.27 e \u00c5\u22123 \u0394\u03c1 RAPID-AUTO global, I. DOI: 10.1107/S1600536811042656/xu5349Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl group is disordered over two equally occupied positions. In the crystal, N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into infinite C(4) chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811043315/bt5681Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043315/bt5681Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by N\u2014H\u22efO hydrogen bonds into a C(4) chain propagating in the b-axis direction.In the title compound, C DOI: 10.1107/S1600536811037123/hb6394Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811037123/hb6394Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both cations feature an intra\u00admolecular N\u2014H\u22efO hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N\u2014H\u22efO, O\u2014H\u22efCl and N\u2014H\u22efCl hydrogen bonds (three of them bifurcated). Weak C\u2014H\u22efO intera\u00adctions also occur.The title compound, (C DOI: 10.1107/S1600536810021793/hb5489Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is coordinated by two terminal N-bonded seleno\u00adcyanate anions and four pyridazine ligands within a slightly distorted octa\u00adhedral geometry. The crystal structure contains two crystallographically independent pyridazine molecules in cavities of the structure, which are not coordinated to the metal centres. The structure is pseudo-C-centered due to the positioning of the discrete coordination complexes; the non-coordinating pyridazine molecules, however, break the C-centering. In the subcell, these ligands are disordered around centres of inversion, which do not coincide with the mid-point of the mol\u00adecules.The reaction of nickel(II) nitrate with potassium seleno\u00adcyanate and pyridazine leads to crystals of the title compound, [Ni(NCSe) DOI: 10.1107/S1600536812028036/vn2044Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The TiIV atom is coordinated in a distorted octa\u00adhedral geometry by a tripodal ligand and two terminal chloride atoms. There are three coordination modes for the tripodal ligand distinguishable on the basis of their very different Ti\u2014O bond lengths. For the terminal alkoxo ligand, the Ti\u2014O distance is 1.760\u2005(1)\u2005\u00c5, the asymmetric bridge system has Ti\u2014O bond lengths of 1.911\u2005(1) and 2.048\u2005(1)\u2005\u00c5. The Ti\u2014O bond length for the alcohol O atom is the longest at 2.148\u2005(1)\u2005\u00c5.The title complex, [Ti DOI: 10.1107/S1600536813031504/hg5360Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds.In the title complex, [Co(C DOI: 10.1107/S160053681102410X/lh5253Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The protonated dimethyl\u00adamine contains one NH2 + group, resulting in a 1:1 supra\u00admolecular rotator\u2013stator structure (CH3\u2014NH2 +\u2014CH3)(18-crown-6), through N\u2014H\u22efO hydrogen-bonding inter\u00adactions between the ammonium group of the cation and the O atoms of the crown ether. In the crystal, all three components lie on a common crystallographic mirror plane normal to [010].The reaction of dimethyl\u00adamine hydro\u00adchloride, 18-crown-6 and ferric chloride in ethanol yields the title compound, (C DOI: 10.1107/S1600536810020192/bh2286Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular N\u2014H\u22efO(carbon\u00adyl) hydrogen bond closes an S(6) ring. Supra\u00admolecular chains along [01-1] mediated by O\u2014H\u22efN(pyridine) hydrogen bonds feature in the crystal. A three-dimensional architecture is completed by \u03c0\u2013\u03c0 inter\u00adactions occurring between the benzene ring and the two rings of the thienopyridine residue [centroid\u2013centroid distances = 3.6963\u2005(13) and 3.3812\u2005(13)\u2005\u00c5]. The F atom is disordered over the two meta sites in a near statistical ratio [0.545\u2005(5):0.455\u2005(5)].In the title compound, C DOI: 10.1107/S1600536812027195/hb6844Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812027195/hb6844Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure is built from triplets of edge-sharing O5\u2013FeO6\u2013O5 polyhedra, CuO4 quadrilaterals and PO4 tetra\u00adhedra. In the O5 polyhedra the Cu and Li positions are statistically occupied in a 0.551\u2005(2):0.449\u2005(2) ratio. Both FeO6 and CuO4 polyhedra exhibit Gray\u2013green single crystals were obtained under high-pressure, high-temperature hydro\u00adthermal conditions. A refinement of atom occupancies gave the composition Li DOI: 10.1107/S1600536811011755/pk2312Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cd\u2014I bond lengths of the central core are close and uniformly longer than the exocyclic Cd\u2014I bond. The coordination sphere of the CdII atom is completed by two N atoms of a chelating methyl 4-[(pyridin-2-yl\u00admethyl\u00adidene)amino]\u00adbenzoate ligand, and is based on a square pyramid with the terminal I atom in the apical position. The three-dimensional crystal packing is stabilized by C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions, each involving the pyridine ring.The complete binuclear molecule of the title compound, [Cd E)-N-(pyridin-2-yl\u00admethyl\u00adidene)aryl\u00adamine ligands, see: Basu Baul, Kundu, H\u00f6pfl et al. 2] = 0.022wR(F2) = 0.050S = 1.003738 reflections191 parametersH-atom parameters constrainedmax = 0.58 e \u00c5\u22123\u0394\u03c1min = \u22121.04 e \u00c5\u22123\u0394\u03c1CrysAlis PRO used to solve structure: SHELXS97 general, I. DOI: 10.1107/S160053681302905X/hg5357Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The deprotonated L 2\u2212 ligands adopt bridging coordination modes. The central TbIII atom is bridged by L 2\u2212 ligands, forming a polymeric chain parallel to the a axis. Supra\u00admolecular O\u2014H\u22efN inter\u00adactions link the chains, building up a layer parallel to (010). O\u2014H\u22efO hydrogen bonds also occur. Two of the pyridine rings are disordered by rotation around the central C\u2014N direction with occupancy ratios of 0.53\u2005(1):0.47\u2005(1).The title complex, [Tb DOI: 10.1107/S1600536811038487/dn2711Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV(C44H28N4)(CNO)(OH)], exhibits substitutional disorder of the OH\u2212 and OCN\u2212 axial ligands. Thus, the cyanato-O ligand and the hydroxyl group bonded to the central SnIV atom share statistically the axial position. The SnIV ion is hexa\u00adcoordinated by the four N atoms of the pyrrole rings of the tetra\u00adphenyl\u00adporphyrin (TPP) and the O atoms of the two disordered OCN\u2212 and OH\u2212 axial ligands. The equatorial tin\u2013pyrrole N atom distance (Sn\u2014Np) is 2.100\u2005(2)\u2005\u00c5 and the axial Sn\u2014O(OCN) or Sn\u2014O(OH) bond length is 2.074\u2005(2)\u2005\u00c5.The title complex, [Sn DOI: 10.1107/S1600536811021544/dn2696Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In each mol\u00adecule, the SnIV atom is four-coordinate and possesses a distorted tetra\u00adhedral geometry. One of the phenyl rings of one molecule is equally disordered over two positions.The title compound, [Sn(C DOI: 10.1107/S160053681005107X/su2232Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The InIII ion is in a slightly distorted octa\u00adhedral coordination geometry. In the crystal, alternating layers of cations and anions are arranged along [010] and are linked via inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efCl and N\u2014H\u22efCl hydrogen bonds, forming sheets parallel to (001). Additional stabilization within these sheeets is provided by weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811004235/lh5204Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion exists in a tetra\u00adgonally distorted trans-N4O2 coordination geometry defined by the four N atoms of the macrocyclic ligand and two weakly bound perchlorate-O atoms from two anions. The N\u2014H atoms form intra\u00admolecular N\u2014H\u22efO(perchlorate) hydrogen bonds. Disorder was resolved in the \u2013CH2\u2013NH\u2013 portion of the macrocycle with the major component having a site-occupancy factor of 0.570\u2005(6).The complete cation in the title compound, [Cu(C N-substituted derivatives and their metal complexes, see: Hazari et al. ](ClO4)2 = 0.059 wR(F 2) = 0.145 S = 1.08 4253 reflections251 parameters15 restraintsH-atom parameters constrainedmax = 0.64 e \u00c5\u22123 \u0394\u03c1min = \u22121.08 e \u00c5\u22123 \u0394\u03c1 CrysAlis PRO used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811042796/hb6449Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inversion dimers linked by pairs of weak C\u2014H\u22efBr bonds generate R 2 2(14) loops. Aromatic \u03c0\u2013\u03c0 stacking [shortest centroid\u2013centroid separation = 3.633\u2005(2)\u2005\u00c5] inter\u00adactions occur within, and also link, the dimers into chains propagating parallel to [100].In the title complex, [CdBr DOI: 10.1107/S1600536811050069/hb6522Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three C\u00a0O groups are pseudo-octa\u00adhedrally disposed with C\u2014Mo\u2014C angles ranging from 80.7\u2005(1) to 87.4\u2005(1)\u00b0. The two uncoordinated 2,6-diisopropyl\u00adphenyl-substituted benzene rings form dihedral angles of 75.96\u2005(8) and 78.01\u2005(9)\u00b0 with the mean plane of the guanidine group. The coordinated benzene ring is in a slight sofa conformation with the N-substituted C atom and the bonded N atom dispaced by 0.090\u2005(3) and 0.458\u2005(4)\u2005\u00c5, respectively, from the mean plane of the remaining ring atoms. In the crystal, despite there being two N\u2014H donor groups, no conventional hydrogen bonds are present. This may be because of the steric effects of the bulky diisopropyl\u00adphenyl groups.In the title compound, [Mo(C DOI: 10.1107/S1600536811021441/lh5261Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bimb ligands bridge the MnII atoms, forming a two-dimensional polymeric complex, which is composed of a 52-membered [Mn4(bimb)4] ring with distances of 7.7812\u2005(2) and 27.4731\u2005(9)\u2005\u00c5 between opposite metal atoms. Weak C\u2014H\u22ef\u03c0 inter\u00adactions are present in the crystal structure.In the crystal structure of the title compound, [MnCl DOI: 10.1107/S1600536811029485/xu5253Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked into two-dimensional networks parallel to the ac plane via inter\u00admolecular C\u2014H\u22efCl inter\u00adactions. One of the phenyl rings is disordered over two positions, with site occupancies of 0.518\u2005(8) and 0.482\u2005(8).In the title compound, [Au DOI: 10.1107/S1600536811008646/is2685Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "With the exception of the Br atoms, all other atoms are disordered over two sets of sites corresponding to a 180\u00b0 rotation of the mol\u00adecule along [In the title compound, [ZnBr DOI: 10.1107/S1600536811042231/gk2406Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title coordination polymer, [MnCl2(C12H12N6)2]n, lies on a center of inversion in a six-coordinate octa\u00adhedral environment comprising four N-atom donors from four N-heterocyclic ligands and two chloride atoms. Bridging by the ligands results in a layer structure of a 14.79\u2005(5) \u00d7 14.79\u2005(5)\u2005\u00c5 rhombic net topology, with the MnII atoms all lying on a plane. The parallel layers stack in an ABCABC\u2026 manner through inter\u00adlayer C\u2014H\u22efN and C\u2014H\u22efCl hydrogen bonds.The Mn DOI: 10.1107/S1600536810026322/ng2796Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each L ligand is situated on an inversion center and bridges two CoII atoms, forming a zigzag polymeric chain propagating in [10In the title coordination polymer, [Co(C DOI: 10.1107/S1600536810053742/cv5012Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial Cu\u2014N and Cu\u2014O bond lengths are in the range 1.979\u2005(2)-1.998\u2005(3)\u2005\u00c5. The axial Cu\u2014O bond distances are 2.365\u2005(2) and 2.394\u2005(2)\u2005\u00c5. In the crystal, the complex cations and perchlorate anions are connected by numerous C\u2014H\u22efO hydrogen bonds, which leads to additional stabilization of the structure. The perchlorate anion is disordered over two sets of sites with a 0.716\u2005(3):0.284\u2005(3) occupancy ratio.The title compound, [Cu(C DOI: 10.1107/S1600536813018485/nr2046Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each of the metal cations is coordinated by two N atoms and two O atoms from two pyridine-2,5-dicarboxyl\u00adate ligands, two O atoms from another two pyridine-2,5-dicarboxyl\u00adate ligands and two water O atoms. The PrIII ions are bridged by two ligands along the c axis, forming the dimeric unit, and these are connected by four ligands along the b axis, forming a chain. N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are found in the structure.The title compound {(C DOI: 10.1107/S1600536811012360/jh2277Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The InIII coordination centers are bridged head-to-head via In\u2014O bonds, yielding four-membered In2O2 rings and zigzag polymeric chains along [001].The title compound, [In DOI: 10.1107/S1600536813028985/lh5663Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813028985/lh5663Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Four of the N atoms are from two chelating bipyridine ligands and two are from a pair of cis-coordinated dicyanamide ligands. The dihedral angle formed by the mean planes of the bipyridine rings is 85.93\u2005(14)\u00b0. The central N atom of one of the dicyanamide ligands was refined as disordered over two sites with equal occupancies.In title complex, [Mn(C DOI: 10.1107/S1600536812014183/lh5441Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure features two short O\u2014H\u22efO bridges between the two chelating anions, with O\u22efO distances less than 2.5\u2005\u00c5.In the title compound, [Co(C DOI: 10.1107/S1600536812000153/bt5764Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ag\u2014C and Ag\u2014Cl single-bond lengths are 2.087\u2005(3) and 2.3267\u2005(9)\u2005\u00c5. The C\u2014Ag\u2014Cl bond angle is 172.84\u2005(7)\u00b0. C\u2014H\u22ef\u03c0 inter\u00adactions contribute to the stabilization of the crystal structure. A very weak \u03c0\u2013\u03c0 stacking inter\u00adaction between adjacent tetra\u00admethyl\u00adbenzene rings [centroid\u2013centroid distance = 4.0610\u2005(18)\u2005\u00c5] is also observed.In the title compound, [AgCl(C DOI: 10.1107/S1600536812012998/sj5223Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Cr(CO)3 unit exhibits a three-legged piano-stool conformation, while the dihydro\u00adpyran ring displays a distorted envelope configuration. The phenyl ring is twisted away from the fused ring system by 25.5\u2005(2)\u00b0. The meth\u00adoxy group is almost coplanar with the phenyl ring [CMe\u2014O\u2014Car\u2014Car torsion angle = 8.46\u2005(2)\u00b0]. The crystal packing is stabilized by inter\u00admolecular C\u2014H\u22efO inter\u00adactions.In the title compound, [Cr(C DOI: 10.1107/S1600536811008683/hp2002Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cyclo\u00adhexane ring adopts a half-chair conformation and the isoxazole ring has an envelope conformation. The ethyl fragment of the eth\u00adoxy\u00adcarbonyl group at position 5 is disordered in a 0.547\u2005(7):0.453\u2005(7) ratio. The K+ ion is surrounded by five O atoms from three ligands at distances ranging from 2.606\u2005(2) to 3.028\u2005(2)\u2005\u00c5, generating a three-dimensional network. The crystal packing displays inter\u00admolecular O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds in which the hy\u00addroxy group acts as a double proton donor.The title compound, [K(C DOI: 10.1107/S160053681101868X/kp2318Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each AgI ion is bicoordinated in a slightly distorted linear coordination geometry by the N atoms of two ligands, resulting in the formation of a 22-membered metallamacrocycle. In the dication, \u03c0\u2013\u03c0 inter\u00adactions are observed between the imidazole rings, with centroid\u2013centroid distances of 3.528\u2005(3)\u2005\u00c5 and dihedral angles of 9.92\u2005(9)\u00b0. The crystal structure is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions involving the benzene rings of adjacent dications, with centroid\u2013centroid distances of 3.651\u2005(2)\u2005\u00c5.In the title compound, [Ag DOI: 10.1107/S1600536811018691/rz2589Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both 1,2-bis\u00ad(pyridin-4-yl)ethene and 5-(diphenyl\u00adphosphino\u00adyl)iso\u00adphthal\u00adate bridge the NiII cations to form polymeric layers parallel to (001). In the crystal, O\u2014H\u22efO hydrogen bonding links layers into a three-dimensional supra\u00admolecular structure.In the title compound, [Ni(C DOI: 10.1107/S1600536812031108/xu5570Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure shows intermolecular N\u2014H\u22efO hydrogen bonds.The title mononuclear complex, [Ni(C DOI: 10.1107/S1600536812019502/im2371Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atom lies on a crystallographic twofold rotation axis and shows a significantly distorted tetra\u00adhedral coordination geometry. The dihedral angle between the phenyl rings is 74.3\u2005(2)\u00b0. The crystal structure is stabilized by inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.635\u2005(2)\u20133.803\u2005(3)\u2005\u00c5].The asymmetric unit of the title compound, [CuCl DOI: 10.1107/S1600536811050690/rz2665Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nitrate counter-ion and the water mol\u00adecule of crystallization are engaged in O\u2014H\u22efO hydrogen-bonding inter\u00adactions, leading to a supra\u00admolecular chain running parallel to the c axis.In the title compound, [RuCl(C DOI: 10.1107/S1600536810046556/bg2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging mode of the O atoms results in the formation of a three-dimensional framework, stabilized by two O\u2014H\u22efO hydrogen-bonding inter\u00adactions.The title compound, Pr(SO DOI: 10.1107/S1600536811000298/mg2113Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds link the components into a three-dimensional supramolecular framework.In the centrosymmetric title compound, [Co(C DOI: 10.1107/S1600536810046374/bg2368Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distance = 3.510\u2005(3)\u2005\u00c5] are present in the crystal.In the title compound, [InCl DOI: 10.1107/S1600536812038147/hy2584Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The \u03bc3-pydc ligands and the bridging water mol\u00adecules connect the Ba atoms into a layer parallel to (100). The crystal packing is stabilized by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the polymeric title compound, [Ba(C DOI: 10.1107/S1600536811020204/hy2431Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II complex, [Co2(C12H21N2Si)2Cl2], an inversion center is located at the mid-point between the two Co atoms in the dimeric mol\u00adecule. The bidentate N-silylated anilide ligand coordinates the CoII atom in an N,N\u2032-chelating mode and provides the anilide N atom as a bridge to link two CoII atoms. The two ends of the N\u2014Si\u2014N chelating unit exhibit different affinities for the metal atom. The Co\u2014Nanilide bond is 2.031\u2005(6)\u2005\u00c5 and Co\u2014Namino bond is 2.214\u2005(6)\u2005\u00c5. The four-coordinate Co atom presents a distorted tetra\u00adhedral geometry, while the dimeric aggregation exhibits a (CoN)2 rhombus core with 1.998\u2005(6)\u2005\u00c5 as the shortest sides and shows a ladder structure composed of Co, N and Si atoms.In the title binuclear Co DOI: 10.1107/S1600536811054602/jj2112Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 2-phenolate ligand is chelated to the central CuII ion in an N,O-bidentate manner.In the title complex, [Cu(C DOI: 10.1107/S1600536812026815/hp2039Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Adjacent ribbons are linked by O\u2014H\u22efO hydrogen bonds, generating a three-dimensional network. The 4,4\u2032-bipyridine-N,N\u2032-dioxide mol\u00adecule lies on an inversion centre and is hydrogen-bonded to the complex network. The coordination geometry of the Eu atom is a monocapped square anti\u00adprism.In the crystal structure of the title compound, {[Eu(C DOI: 10.1107/S1600536810041838/xu5055Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands link different CdII ions into a ribbon-like structure along [001]. Two O atoms of the nitrate anion are disordered over two sets of sites with site occupancies of 0.575\u2005(8) and 0.425\u2005(8). In the title compound, [Cd(NO DOI: 10.1107/S1600536812023288/vn2040Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion is a six-coordinate complex located on a threefold rotation axis with a slightly distorted octa\u00adhedral geometry around Zn2+ ion. The cation is also six-coordinate with an octa\u00adhedral geometry around the Zn atom, located at a The title compound, [Zn(H DOI: 10.1107/S1600536810047252/om2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The fluoro\u00adaniline ring forms a dihedral angle of 19.3\u2005(2)\u00b0 with the p-cymene ring. In the crystal, two mol\u00adecules form an inversion dimer via a pair of N\u2014H\u22efCl hydrogen bonds. Weak inter\u00admolecular C\u2014H\u22efCl inter\u00adactions involving the p-cymene ring consolidate the crystal packing.The title compound, [RuCl DOI: 10.1107/S1600536810051962/is2638Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anionic framework can be decomposed into two types of layers, viz. MoO2As2O7 and Mo2As2O14, which use mixed Mo\u2014O\u2014As and As\u2014O\u2014Mo bridges to achieve a new three-dimensional structure with two types of large channels in which the Na+ cations are located. Two O atoms are disordered and are located in two positions close to their initial positions with occupancy ratios of 0.612\u2005(17):0.388\u2005(17) and 0.703\u2005(12):0.298\u2005(12).The asymmetric unit of the title compound, Na DOI: 10.1107/S1600536812010069/fj2524Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "There are two crystallographically unique TbIII atoms in the asymmetric unit. One TbIII atom resides on a threefold rotation axis, while the other has no imposed crystallographic symmetry. The thio\u00adcyanate ligands are bound through N atoms, illustrating the hard\u2013hard bonding principles of metal complex chemistry.The title compound, [Tb(NCS) DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cation and anion are well separated, which gives an unperturbed tetra\u00adhedral anion as is expected for a formally Co\u2212Id10 metal center. The considerable elongation of the C=C bonds of the ethyl\u00adene ligands [average 1.401\u2005(6)\u2005\u00c5], relative to that of free ethyl\u00adene (1.333\u2005\u00c5), is consistent with metal\u2192\u03c0* back-bonding models. One arm of the 2.2.2-cryptand complexant is disordered and was modeled over two positions with a refined occupancy ratio of 0.559\u2005(2):0.441\u2005(2). In the crystal, the cationic K(2.2.2-cryptand) units are linked via C\u2014H\u22efO hydrogen bonds, forming inversion dimers. There are no other significant inter\u00admolecular inter\u00adactions in the crystal structure.The title salt, [K(C DOI: 10.1107/S1600536812038287/su2495Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The \u03bc3-2-fluoro\u00adbenzoate ligand bridges three symmetry-related SrII atoms, giving rise to a chain structure extending along [010]. The polymeric chains are connected via O\u2014H\u22efO hydrogen bonds into a two-dimensional supra\u00admolecular structure parallel to (100).In the title compound, {[Sr(C DOI: 10.1107/S1600536811008397/hy2410Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The octa\u00admethyl\u00adferrocenium cation adopts an eclipsed conformation. An intra\u00admolecular O\u2014H\u22efO hydrogen bond is present in the bromanilate anion. In the crystal, the cations and anions are stacked alternately, forming a one-dimensional columnar structure along [010].In the title salt, octa\u00admethyl\u00adferrocenium bromanilate, [Fe(C DOI: 10.1107/S1600536811025499/hy2444Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles formed by the planes of the pyrazole rings are 50.7\u2005(2), 71.2\u2005(3) and 95.8\u2005(2)\u00b0. The mol\u00adecules are associated into dimers by pairs of inter\u00admolecular O\u2014H\u22efN hydrogen bonds involving the hy\u00addroxy groups and pyrazole N atoms. In addition, \u03c0\u2013\u03c0 stacking between the phenol rings of these inversion-related dimers is observed, with a ring centroid-to-centroid distance of 3.9247\u2005(10)\u2005\u00c5.The title compound, C DOI: 10.1107/S1600536811043042/pk2340Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043042/pk2340Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The r.m.s. deviation from a plane through the four N atoms of the Schiff base is 0.015\u2005(3)\u2005\u00c5, and the deviation of the Ni atom from that plane is 0.591\u2005(2)\u2005\u00c5. Bond lengths are comparable with those observed in similar zinc(II) complexes with Schiff bases. The two methyl\u00adene C atoms of the ethane-1,2-diamine bridge of the Schiff base ligand are disordered over two sites with occupancies of 0.587\u2005(3) and 0.413\u2005(3).In the title compound, [Zn(NCS)(C DOI: 10.1107/S1600536810021628/sj5017Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The holmium atom in the cation is coordinated by eight O atoms from two nitrate and four hexa\u00admethyl\u00adphospho\u00adramide ligands in a distorted square-anti\u00adprismatic geometry. Together with the two nitrate ligands, the complex cation in the title compound is univalent, which leads the anion to be univalent as well. The polymeric anionic chain with W\u2014Ag\u2014W and Ag\u2014W\u2014Ag angles of 161.429\u2005(17) and 153.608\u2005(10) \u00b0, respectively, presents a distorted linear configuration. The title complex is isotypic with the corresponding Y, Yb, Eu, Nd, La and Dy analogues.In the title salt, {[Ho(NO For iso al. 2007; Cao et al. 2007; Zhang, al. 2007; Tang, Z al. 2007; Tang, Z al. 2007; Zhang 2(C6H18N3OP)4][AgWS4] = 0.031 wR(F 2) = 0.073 S = 1.03 9655 reflections532 parametersH-atom parameters constrainedmax = 0.87 e \u00c5\u22123 \u0394\u03c1min = \u22120.86 e \u00c5\u22123 \u0394\u03c1 CrystalClear used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536811046460/rz2661Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These orientations are mediated by a number of inter\u00admolecular C\u2014H\u22efO inter\u00adactions, which result in a one-dimensional hydrogen-bonded network of mol\u00adecules.In the title compound, [Fe(C DOI: 10.1107/S1600536811016588/pv2401Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the title compound, the C\u2014C\u2014C\u2014N\u2014C backbone adopts an all-trans conformation. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen-bond inter\u00adactions. The title compound, C DOI: 10.1107/S1600536811015960/hg5030Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811015960/hg5030Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atoms in the two crystallographically independent mol\u00adecules of the title compound, [Sn(C4H9)2(C19H13ClN2O3)], are in distorted cis-C2NO2Sn trigonal-bipyramidal coordination environments. The tridentate dianion of the Schiff base, N\u2032-[1-(5-chloro-2-oxidophen\u00adyl)ethyl\u00adidene]-3-hy\u00addroxy-2-naphtho\u00adhydrazide, displays inter\u00admolecular O\u2014H\u22efN hydrogen bonding, which stabilizes the overall compound.The five-coordinate Sn DOI: 10.1107/S1600536810021896/hg2693Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two O,O\u2032-bis\u00ad(4-methyl\u00adphen\u00adyl)dithio\u00adphosphate anions occupy the axial positions with long Cu\u22efS distances of 3.0090\u2005(8)\u2005\u00c5. Inter\u00admolecular N\u2014H\u22efS and C\u2014H\u22efS hydrogen bonding is present between the anions and the cation.In the title compound, [Cu(C DOI: 10.1107/S1600536810046672/xu5079Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds result in a two-dimensional structure parallel to (001).In the title complex, [V(C DOI: 10.1107/S1600536811003163/hy2401Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The eight-membered ring has a slightly distorted boat conformation.The title mol\u00adecule, C DOI: 10.1107/S1600536811014851/lh5233Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811014851/lh5233Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Four symmetry-equivalent mesitylacetamidate ligands bridge the Rh\u2014Rh unit. Thus, each RhII atom has an approximately octa\u00adhedral coordination by one Rh [Rh\u2014Rh = 2.4290\u2005(6)\u2005\u00c5], two acetamidate O atoms trans to each other [Rh\u2014O = 2.044\u2005(3)\u2005\u00c5], two acetamidate N atoms trans to each other [Rh\u2014N = 2.091\u2005(4)\u2005\u00c5], and a benzonitrile N atom trans to Rh [Rh\u2014N = 2.222\u2005(3)\u2005\u00c5]. The structure is held together by weak van der Waals forces.The title structure, [Rh DOI: 10.1107/S1600536812024518/qk2033Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure of the title compound, [Mo(C Cl(CO)3] = 0.022wR(F2) = 0.046S = 1.012355 reflections118 parametersH-atom parameters constrainedmax = 0.32 e \u00c5\u22123\u0394\u03c1min = \u22120.30 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 X-SEED I, global. DOI: 10.1107/S1600536812008471/kp2389Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pyridine-N and carboxyl\u00adate-O atoms of the pyridyl\u00adacetate anion connect to two ZnII cations, forming a two-dimensional polymeric complex extending parallel to (212). Inter\u00admolecular O\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536811038190/xu5324Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by N\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title complex, [Cd(C DOI: 10.1107/S160053681104596X/pv2474Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104596X/pv2474Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chains contain six-coordinate MnII ions bridged by formate anions. They are further extended into a three-dimensional network via O\u2014H\u22efO hydrogen-bonding inter\u00adactions and inter\u00adchain \u03c0\u2013\u03c0 stacking inter\u00adactions, with a centroid\u2013centroid distance of 3.679\u2005(4)\u2005\u00c5.The title compound, {[Mn(HCOO) DOI: 10.1107/S1600536811020575/fj2422Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the aromatic rings in the ligands are 82.60\u2005(14) and 71.79\u2005(14)\u00b0. The complex has approximate local noncrystallographic twofold symmetry. In the crystal, weak aromatic \u03c0\u2013\u03c0 stacking is observed [centroid\u2013centroid separation = 3.6434\u2005(18)\u2005\u00c5].In the title complex, [Co(C DOI: Click here for additional data file.10.1107/S1600536813003747/hb7032Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The axis passes through the mid-point of the 1,10 and 5,6 bonds of the N-heterocycle and through the Sn atom. The Sn atoms show a slightly distorted SnC2N4 octa\u00adhedral coordination.In the asymmetric unit of the title compound, [Sn(C DOI: 10.1107/S1600536811001292/bt5460Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Carene\u2014Si distances are significantly longer than in the analogous non-fluorinated compound. The packing of the mol\u00adecules results in a herringbone motif in the ac plane.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536812010677/mw2055Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010677/mw2055Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cyclo\u00adpenta\u00addienyl ligand occupies three fac coordination sites while the two carbonyl ligands and formate O atom occupy the remaining three sites.In the structure of the title compound [Fe DOI: 10.1107/S1600536811032764/ng5211Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The I\u2212 ions both occupy equatorial sites. Within the ligand, the dihedral angles between the central pyrazine ring and the two chelating pyridine (py) rings are 14.74\u2005(17) and 26.72\u2005(18)\u00b0. The equivalent angles for the non-coordinating py rings are 28.63\u2005(16) and 42.19\u2005(17)\u00b0. There is no aromatic \u03c0\u2013\u03c0 stacking in the crystal.In the title compound, [ZnI DOI: 10.1107/S1600536810046842/hb5732Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment can be described as distorted square pyramidal. The coordination of the enanti\u00ado\u00adpure ligand to the metal atom renders the central N atom chiral with an S configuration, so the complex is enanti\u00adomerically pure and corresponds to the S,R,R diastereoisomer. In the crystal, the mol\u00adecules are linked via weak N\u2014H\u22efBr hydrogen bonds into a chain parallel to the b axis. In the title compound, [CdBr DOI: 10.1107/S1600536811007033/dn2658Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two aromatic rings make a dihedral angle of 88.5\u2005(3)\u00b0. In the crystal, N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into C(4) chains propagating in [010].In the title compound, C DOI: 10.1107/S1600536811047805/ds2154Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047805/ds2154Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnIII atom possesses a distorted trans-MnO4N2 octa\u00adhedral coordination environment. The bridging ligands lead to [010]-chain polymeric cations {[Mn(HL)2]+}n in the crystal. The charge-balancing iodide ions are disordered over two sites in a 0.690\u2005(2):0.310\u2005(2) ratio and a weak O\u2014H\u22efI hydrogen bond occurs. The crystal studied was found to be a racemic twin.In the title one-dimensional coordination polymer, {[Mn(C DOI: Click here for additional data file.10.1107/S1600536813012695/hb7060Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One nitro O atom of one picrate ion is disordered over two sites with occupancies of 0.54\u2005(5) and 0.46\u2005(5).In the title complex, [Mn(C DOI: 10.1107/S1600536812026037/bh2434Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination environment of the Cu atom is square-planar with two amino and two imidazole N atoms bonded to the metal in a trans configuration.In the title compound, [Cu(C N-donor ligands, see: Schiller et al. 2](PF6)2 = 0.047 wR(F 2) = 0.123 S = 0.97 1955 reflections151 parametersH-atom parameters constrainedmax = 0.91 e \u00c5\u22123 \u0394\u03c1min = \u22120.46 e \u00c5\u22123 \u0394\u03c1 CrysAlis CCD used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811050100/fi2116Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The discrete trinuclear manganese secondary building units (SBU) of Mn3(O2CR)6 ({\u2013Mn\u2014Mn\u2014Mn-}) are linked through bdc ligands, forming a chain, while the discrete trinuclear SBU of {\u2013Mn\u2014Mn\u2014Mn-} are bridged, forming another chain]. The two types of chains are linked through bdc ligands, resulting in the formation of a layer with 36 topology. Weak O\u2014H\u22efO and O\u2014H\u22efN hydrogen-bonding inter\u00adactions involving the disordered water molecule extend the two-dimensional layers into a three-dimensional supra\u00admolecular framework.In the title compound, {[Mn DOI: 10.1107/S1600536811020010/bx2348Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeII atom lies on a twofold rotation axis, giving an eclipsed conformation for the cyclo\u00adpenta\u00addienyl ligands. No significant inter\u00admolecular inter\u00adactions are observed in the crystal structure.The asymmetric unit of the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812049069/is5223Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The monoclinic structure is isotypic with its K2Cu, K2Zn, Cs2Zn and Cs2Cu analogues. The structure is built up from isolated, slightly elongated octa\u00adhedral [Ni(H2O)6]2+ complex cations 6]2+ and [Zr2F12]4\u2212 complex ions are situated in planes parallel to (010). They are connected by the eight-coordinated K+ ions into a three-dimensional structure. An intricate O\u2014H\u22efF hydrogen-bonding network consolidates the structure.Single crystals of the title compound, K DOI: 10.1107/S160053681005350X/wm2439Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions bridge adjacent TbIII ions into double chains. Adjacent chains are further connected into sheets parallel to (10In the title coordination polymer, {[Tb(C DOI: 10.1107/S1600536811005447/wm2449Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One layer contains imidazole cations, the other two layers the ammonium cations and dichromate anions. The dichromate anion has an eclipsed conformation with a dihedral angle of 14.65\u2005(18)\u00b0 between the mean planes of the O\u2014P\u2014O\u2014P\u2014O backbone.In the crystal structure of the title compound, (C DOI: 10.1107/S1600536812009506/fj2526Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination polyhedron around TbIII adopts a distorted tricapped trigonal\u2013prismatic geometry. Disordered water mol\u00adecules with partial occupancy are also present in the crystal, one of which is associated with each of the carboxyl\u00adate O atoms of the complex unit. In the title compound, [Tb(C DOI: 10.1107/S1600536811024135/zs2104Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each DyIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, one bidentate carboxyl\u00adate group and four bridging carboxyl\u00adate groups in a distorted DyN2O7 monocapped square-anti\u00adprismatic geometry. The title compound is isotypic with its terbium-containing analogue.In the centrosymmetric binuclear title complex, [Dy DOI: 10.1107/S1600536811034696/hb6365Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A weak inter\u00admolecular C\u2014H\u22efN hydrogen-bonding inter\u00adaction between one pyridine group of the ligand and an azide N atom of an adjacent complex unit gives a one-dimensional chain structure parallel to the c axis.In the title compound, [Cu(N DOI: 10.1107/S1600536811021234/pk2326Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HPAA ligands coordinate in a bridging tridentate mode. In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds form a three-dimensional network which consolidates the packing.In the title compound, {[Ce(C DOI: 10.1107/S1600536810047239/cv2794Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An inter\u00admolecular C\u2014H\u22efO inter\u00adaction is formed between an H atom at the 6-position of the naphthalene ring and the O atom of the meth\u00adoxy group at the 7-position.In the mol\u00adecule of the title compound, C DOI: Click here for additional data file.10.1107/S1600536813003218/pk2464Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813003218/pk2464Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Such dimers are connected via bidentate hydrogen squarate groups [HC4O4]\u2212, leading to chains that propagate along the b axis. Inter- and intra\u00admolecular O\u2014H\u22efO hydrogen bonds maintain the crystal packing through a three-dimensional network.The title structure, {[Ba DOI: 10.1107/S1600536811002996/bq2274Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the mean planes of the fluorenyl ring systems and the Cp ring are 36.62\u2005(6)\u00b0 for the \u03b71-coordinated fluorenyl and 52.85\u2005(6)\u00b0 for the \u03b75-coordinated fluorenyl, while the dihedral angle between the mean planes of the two fluorenyl ring systems is 76.18\u2005(7)\u00b0.In the title compound, [Zr(C DOI: 10.1107/S1600536810050816/kp2294Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C atoms of the THF molecule are disordered over two positions in a 0.55\u2005(2):0.45\u2005(2) ratio.In the mononuclear title compound, [MoCl DOI: 10.1107/S1600536810021690/ez2211Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI atom has a distorted tetra\u00adhedral coordination. The O\u2014Cu\u2014O angle is 80.07\u2005(8)\u00b0 and the P\u2014Cu\u2014P angle is 123.49\u2005(3)\u00b0. The crystal packing is stablized by intra\u00admolecular C\u2014H\u22efO inter\u00adactions and inter\u00admolecular C\u2014H\u22efO and O\u2014H\u22efO inter\u00adactions.In the title compound, [Cu(C DOI: 10.1107/S1600536811011470/fi2105Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging O atom lies on a twofold rotation axis.The title dinuclear titanocene, [Ti DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These chains are further linked through N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds to the nitrate anions, forming well-separated infinite planar layers parallel to (001).In the crystal structure of the title compound, C DOI: 10.1107/S1600536811027978/lx2193Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027978/lx2193Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These two constituents are linked by a remarkably short inter\u00adaction between the Br atom of the imidazolium cation [C\u2014Br = 1.85\u2005(3)\u2005\u00c5] and one N atom of the cyanidoargentate anion [Br\u22efN = 2.96\u2005(2)\u2005\u00c5], which is much less than the sum of the van der Waals radii (3.40\u2005\u00c5). The crystal studied was twinned by merohedry.The title structure, (C DOI: 10.1107/S1600536811051828/qk2020Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoIII atom exhibits an octa\u00adhedral geometry, coordinated by four N atoms from the tris\u00ad(2-pyridyl\u00admeth\u00adyl)amine ligand with an average Co\u2014N distance of 1.953\u2005(2)\u2005\u00c5, and two cyanide C atoms with an average Co\u2014C distance of 1.895\u2005(2)\u2005\u00c5. The crystal packing is stabilized by inter\u00admolecular C\u2014H\u22efN and C\u2014H\u22efF inter\u00adactions.In the title complex, [Co(CN) DOI: 10.1107/S1600536811012001/vm2083Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic cations occupy the interlayer regions and interact with the layers by way of N\u2014H\u22efO, N\u2014H\u22efCl, and C\u2014H\u22efCl hydrogen bonds.In the title compound, [ZnCl(HPO DOI: 10.1107/S1600536810029995/bx2290Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the central Ti2(\u03bc2-O)2 fragment, the metal\u2013oxygen distances are significantly different [1.7962\u2005(19) and 1.9292\u2005(19)\u2005\u00c5]. In the crystal, the chloro\u00adform mol\u00adecule is anchored via an N\u2014H\u22efCl and a bifurcated C\u2014H\u22ef hydrogen bond. Slipped \u03c0\u2013\u03c0 stacking [shortest C\u22efC distance = 3.585\u2005(4)\u2005\u00c5] and C\u2014H\u22ef\u03c0 inter\u00adactions contribute to the coherence of the structure.In the title structure, [Ti DOI: 10.1107/S1600536813029656/qk2062Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813029656/qk2062Isup3.molSupplementary material file. DOI: 969061 crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The distorted square-planar geometry about CuII has normal dimensions, with Cu\u2014O = 1.8881\u2005(15)\u2005\u00c5 and Cu\u2014N = 1.9804\u2005(17)\u2005\u00c5.In the title complex, [Cu(C DOI: 10.1107/S160053681003374X/zs2057Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ru\u2014Ru distance and Ru\u2014O\u2014Ru angle are 3.2838\u2005(3)\u2005\u00c5 and 121.79\u2005(7)\u00b0, respectively, and the average Ru\u2014N(pyridine) bond length is 2.164\u2005(8)\u2005\u00c5. Several C\u2014H\u22efF, C\u2014H\u22efO and C\u2014H\u22efN inter\u00adactions generate a three-dimensional network in the crystal structure. \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.6389\u2005(3)\u2005\u00c5] between inversion-related 2,2\u2032-bipyridine rings are also observed.The hemerythrin-type dinuclear title complex, [Ru DOI: Click here for additional data file.10.1107/S1600536813003334/gg2109Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Both constituents are completed by crystallographic inversion symmetry. In the dimeric cation, the CoII atom is surrounded in a distorted octa\u00adhedral coordination by four N atoms from two chelating 2,2\u2032-bipyridine ligands and by two O atoms from the chelating oxalate anion. The Lindqvist-type anion exhibits the characteristic W\u2014O bond-length distribution, with the shortest bonds being the W\u2014Oterminal bonds and the longest being those to the central O atom.The asymmetric unit of the title compound, [Co DOI: 10.1107/S1600536810023007/wm2358Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the oxazole rings and their pendant rings are 2.0\u2005(3) and 24.3\u2005(2)\u00b0. The F atoms are disordered over two sites with occupancies of 0.627\u2005(3) and 0.373\u2005(3) in the phenyl\u00adene\u2013oxazol\u00adyl\u2013phenyl and in oxazol\u00adyl\u2013phenyl fragments, respectively. In the crystal structure, mol\u00adecules are linked through a network of C\u2014H\u22efF and weak \u03c0\u2013\u03c0 stacking inter\u00adactions.In the title compound, C DOI: 10.1107/S1600536810031235/fb2208Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Cl atoms adopt a cis arrangement with the PPh3 ligand trans to one Cl atom. The N,O,N\u2032-tridentate ligand occupies a mer position in the coordination sphere.In the structure of the title compound, [RuCl DOI: 10.1107/S1600536810047033/jh2228Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tridentate IDA ligand additionally bridges via one of its carboxylate O atoms to another CdII atom, thus forming a zigzag chain along [001]. A three-dimensional network is completed by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Cd(C II complexes, see: Brusau et al. (H2O)2] = 0.047wR(F2) = 0.164S = 1.091303 reflections109 parameters1 restraintH-atom parameters constrainedmax = 2.05 e \u00c5\u22123\u0394\u03c1min = \u22121.23 e \u00c5\u22123\u0394\u03c1Absolute structure: Flack 1983, 566 FriFlack parameter: 0.04 (14)SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536813017121/hy2628Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ca2+ cation is seven-coordinated by five O atoms and one N atom of four pyrazine-2,3-dicarboxyl\u00adate anions, and one water mol\u00adecule. The complete deprotonated pyrazine-2,3-dicarboxyl\u00adate anion adopts a \u03bc4-coordination mode, resulting in the formation of a three-dimensional structure.The polymeric title compound, [Ca(C DOI: 10.1107/S1600536811050276/ds2152Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial positions are occupied by the six O atoms of an 18-crown-6 ether ring. In the axial positions, there is one O atom of a trifluoro\u00admethane\u00adsulfonate anion and an ether O atom of a symmetry-equivalent crown ether ring. In this way, centrosymmetric dimers are formed.The title compound, [Na(CF DOI: 10.1107/S1600536810025961/ng2797Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cyclo\u00adpenta\u00addienyl ligand occupies three coordination sites of the apical position in a \u03b75 fashion, while two CO ligands and one N atom of the hexa\u00admethyl\u00adene\u00adtetra\u00admine ligand occupy the remaining coordination sites to complete a distorted octa\u00adhedral geometry. The asymmetric unit consists of two sets of crystallographically independent cations and anions with the r.m.s. deviations of the overlay of non-H atoms of each pair being 0.081 and 0.120\u2005\u00c5, respectively. The Fe\u2014N bond lengths are 2.0459\u2005(15) and 2.0490\u2005(14)\u2005\u00c5, while the Fe\u2014Cp(centroid) distances are 1.7257\u2005(3) and 1.7246\u2005(3)\u2005\u00c5. One of the anions displays disorder, with the F atoms having occupancies of 0.58\u2005(4) and 0.42\u2005(4).In the structure of the title compound, [Fe(C DOI: 10.1107/S1600536812031649/kj2206Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II atom in the title salt, [Ni(C2H8N2)3](C10H6O6S2), is chelated by three ethyl\u00adenediamine ligands in an octa\u00adhedral geometry. The cation and anion are linked by N\u2014H\u22efO hydrogen bonds into a three-dimensional network. One of the two \u2013SO3 groups is disordered over two positions in a 1:1 ratio.The Ni DOI: 10.1107/S1600536811049063/nk2123Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the mol\u00adecules pack in layers, diagonally, in a head-to-tail fashion across the ab plane. These layers are stabilsed by inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efF hydrogen bonds.In the title compound, [Re(C For rel al. 2009, 2011 \u25b6;5H4F3O2)(C5H5N)(CO)3] = 0.025 wR(F 2) = 0.059 S = 1.06 3603 reflections209 parametersH-atom parameters constrainedmax = 1.43 e \u00c5\u22123 \u0394\u03c1min = \u22121.09 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S160053681104476X/ng5257Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one Mg, two Te and five O atoms of which the Mg and one O atom lie on a threefold rotation axis. The structure is made up from slightly distorted [MgO6] octa\u00adhedra (isolated from each other), distorted [TeO4] bis\u00adphenoids and [TeO4\u00a0+\u00a01] tetra\u00adgonal pyramids sharing corners and edges. This arrangement leads to the formation of a dense three-dimensional structure.MgTe DOI: Click here for additional data file.10.1107/S1600536813003875/pj2001Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The nickel(II) cation is located about a centre of inversion and is octa\u00adhedrally coordinated by two cyanate anions and four 2,6-dimethyl\u00adpyrazine ligands, forming discrete complexes.Reaction of nickel(II) chloride with sodium cyanate and 2,6-di\u00admethyl\u00adpyrazine leads to single crystals of the title com\u00adpound, [Ni(NCO) N-donor ligands, see: Boeckmann & N\u00e4ther 4] = 0.039wR(F2) = 0.102S = 1.013341 reflections182 parametersH-atom parameters constrainedmax = 0.30 e \u00c5\u22123\u0394\u03c1min = \u22120.40 e \u00c5\u22123\u0394\u03c1X-AREA used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812027985/zl2488Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The double negative charge is balanced by two ethanamidinium cations. A three-dimensional supra\u00admolecular structure is formed through N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.553\u2005(2)\u2005\u00c5].In the title complex, (C DOI: Click here for additional data file.10.1107/S1600536812048350/fi2126Isup2.cdxSupplementary material file. DOI: Click here for additional data file.10.1107/S1600536812048350/fi2126Isup3.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812048350/fi2126Isup4.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The perchlorate O-atoms are disordered over two positions in a 0.584\u2005(14):0.416\u2005(14) ratio.In the title complex, [Ag(C DOI: 10.1107/S1600536810025171/su2189Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053681104520X/bt5685Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co atom occupies a special position on a crystallographic inversion center. The caesium ion is octa\u00adhedrally coordinated by six O atoms with Cs\u2014O distances ranging from 3.119\u2005(2) to 3.296\u2005(2)\u2005\u00c5. A three-dimensional network is formed through O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, Cs DOI: 10.1107/S1600536811035355/jh2322Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22ef\u03c0(arene) inter\u00adactions. The Ru\u2014\u03b75-cyclopentadienyl centroid bond length is 1.946\u2005(11)\u2005\u00c5In the title mol\u00adecule, [Ru(C DOI: 10.1107/S1600536810033180/lh5113Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II3CrIII2(GeO4)3, were obtained by utilizing a chemical transport reaction. Corres\u00adponding to the mineral garnet with the general formula AII3BIII2(SiO4)3, each of the four elements occupies only one crystallographically distinct position. Mn2+ occupies the respective A position , being surrounded by eight O atoms that form a distorted cube , while Cr3+ on the B position is situated in a slightly distorted octa\u00adhedron of six O2\u2212 anions . In addition, the O atoms on general site 96h form isolated [GeO4]4\u2212 tetra\u00adhedra with Ge4+ on site 24d .Single crystals of garnet-type trimanganese(II) dichrom\u00adi\u00adum(III) tris\u00ad[orthogermanate(IV)], Mn DOI: 10.1107/S1600536812016832/wm2621Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The imine is E-configured. In the crystal, C\u2014H\u22efN inter\u00adactions involving both N atoms connect the mol\u00adecules into two undulating sheets perpendicular to the b axis. The centroid\u2013centroid distance between the two aromatic systems in the ferrocenyl moiety is 3.2928\u2005(18)\u2005\u00c5. A C\u2013H\u22ef\u03c0 inter\u00adaction is also present.In the title compound, [Fe(C DOI: 10.1107/S1600536811027346/vm2107Isup2.cdx Supplementary material file. DOI: 10.1107/S1600536811027346/vm2107Isup3.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV complex, [VO(C13H15NO3)(C12H8N2)], the oxidovanadium cation is N,N\u2032-chelated by a 1-10-phenanthroline ligand and N,O,O\u2032-chelated by a Schiff base anion in a distorted octa\u00adhedral geometry. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds occur in the crystal structure which contains solvent-accessible voids of 81\u2005\u00c53.In the title V O(C12H8N2)] = 0.065wR(F2) = 0.128S = 1.003962 reflections298 parametersH-atom parameters constrainedmax = 0.40 e \u00c5\u22123\u0394\u03c1min = \u22120.38 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812025391/xu5555Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II atom in the title compound, {[Pb2(C7H6NO2)4]}n, is chelated by two 3-aminobenzoato ligands in a distorted pentagonal-bipyramidal coordination geometry with five oxygen donors in the equatorial positions, one nitro\u00adgen donor and one oxygen donor in the axial positions. Two mol\u00adecules are linked through a centre of inversion, forming a dinuclear entity. These entities are linked in a \u03bc3-bridging mode through the amino N atom and two carboxyl\u00adate O atoms into a chain along the b axis. Classical inter\u00admolecular N\u2014H\u22efO hydrogen bonding is observed in the structure. The supra\u00admolecular structure is consolidated by \u03c0\u2013\u03c0 stacking inter\u00adactions with centroid\u2013centroid distances between benzene rings of 3.837\u2005(8)\u2005\u00c5.The Pb DOI: 10.1107/S1600536810041322/rk2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Difference electron density maps indicate a disorder of the Br atom over two positions in an approximate 0.95:0.05 ratio. However, this disorder could not be resolved satisfactorily with the present data.In the title compound, [Rh(C DOI: 10.1107/S1600536812011944/mw2054Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The material consists of infinite chains of [Ag(C14H12N2O4)] units running along [001], held together by BF4\u2212 bridging anions.In the title compound, [Ag(BF For bac al. 1999; Brito e al. 2011. 4)(C14H12N2O4)] = 0.058wR(F2) = 0.144S = 0.932772 reflections235 parametersH-atom parameters constrainedmax = 1.75 e \u00c5\u22123\u0394\u03c1min = \u22121.14 e \u00c5\u22123\u0394\u03c1X-AREA used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812018399/ff2064Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The tetra\u00addentate mode of coordination of the Schiff base ligand leads to a five-membered ZnN2C2 chelate ring which adopts an envelope conformation with the Zn atom at the flap, and two six-membered ZnOC4N chelate rings, one of which is approximately planar (r.m.s. deviation = 0.054\u2005\u00c5) but the other has significant puckering (r.m.s. deviation = 0.203\u2005\u00c5).The Zn atom in the title acetonitrile solvate, [Zn(C DOI: 10.1107/S160053681100359X/hb5794Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom shows trigonal\u2013prismatic coordination.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536812019836/ng5269Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The pyridine and tetra\u00adzole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68\u2005(1)\u00b0. The zwitterionic organic mol\u00adecules, anions and cations are connected by O\u2014H\u22efCl, O\u2014H\u22efN and N\u2014H\u22efCl hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, (C DOI: 10.1107/S160053681005419X/bx2339Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two terminal carboxyl\u00adate groups bind the ZnII ions, leading to a chain along the c axis. Adjacent chains are further linked by inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions with a shortest centroid\u2013centroid distance of 3.586\u2005(3)\u2005\u00c5, forming a two-dimensional supra\u00admolecular architecture with -network topology.In the title one-dimensional coordination polymer, [Zn(C DOI: 10.1107/S160053681102856X/is2747Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distortion of the tetrahedral coordination may be ascribed to the hydrogen bonds between the carboxyl\u00adate groups and the adjacent water mol\u00adecules. Each ZnII atom links to three organic ligands and each pyromellitate ligand coordinates to four ZnII atoms, forming a -connected infinite three-dimensional framework. O\u2014H\u22efN inter\u00adactions also occur.In the title compound, [Zn DOI: 10.1107/S1600536811018721/zk2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As for the seven-membered ring, the dihedral angle between the mean planes formed by the four C atoms of the envelope unit and the three C and one O atoms of the six-membered chair is 68.67\u2005(2)\u00b0; these two mean planes are nearly perpendicular to the ep\u00adoxy ring with angles of 87.97\u2005(2)and 88.14\u2005(2)\u00b0, respectively.In the title trichodermin compound , C DOI: 10.1107/S1600536810028461/si2275Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ca2+ cation is situated on an inversion centre and is hexa\u00adcoordinated by six O atoms belonging to different anions in a distorted octa\u00adhedral geometry. This arrangement leads to a layered structure parallel to (011). The layers are held together by N\u2014H\u22efO hydrogen bonds and by short C\u2014H\u22efO inter\u00adactions, both involving the sulfonate O atoms not coordinated to the Ca2+ cations. The structure was determined from a crystal twinned by non-merohedry [twin law (The title compound, poly[bis\u00ad(\u03bc al. 1988. Acta Cr DOI: 10.1107/S1600536811046940/zl2412Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular structure is stabilized by weak C\u2014H\u22efO and C\u2014H\u22efF hydrogen-bond inter\u00adactions. The crystal structure is stabilized by \u03c0\u2013\u03c0 stacking inter\u00adactions (centroid\u2013centroid distance = 3.951\u2005\u00c5).The title compound, [Ir(C DOI: 10.1107/S1600536813026160/bx2449Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NdIII ion exhibits an NdN4O5 coordination environment comprising two O atoms of two monodentate 4-amino\u00adbenzene\u00adsulfonato ligands, four N atoms of the bidentate 1,10-phenanthroline ligands, and three water-O atoms. The coordination geometry is based on a tricapped triangular-prismatic arrangement. The components are consolidated into a three-dimensional network via O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen-bonding inter\u00adactionsThe title complex, [Nd(C DOI: 10.1107/S1600536810023445/tk2665Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex units are embedded in a network of N\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding inter\u00adactions that stabilize the three-dimensional crystal structure. The strongest hydrogen bonds are formed between the \u03b3-COOH untis of adjacent glutamate ligands, leading to dimers of the type R 2 2(8) with O\u22efO separations of 2.640\u2005(6)\u2005\u00c5.In the title compound, [Pd(C DOI: 10.1107/S1600536811035860/wm2526Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination of the Fe2+ cation (site symmetry 2) is octahedral, with four N atoms from four 4,4\u2032-bipyridyl ligands and O atoms from two trans water molecules. Adjacent layers are linked with each other by inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supra\u00admolecular structure. Parts of the nicotinic acid derivative are equally disordered over two sets of sites.In the title compound, {[Fe(C DOI: 10.1107/S1600536811052287/rk2316Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SmIII atom is coordinated by two O atoms from two bridging anions, four O atoms from two chelating anions and the N atoms of the N-heterocycle in a distorted dodeca\u00adhedral geometry.The dimeric title compound, [Sm DOI: 10.1107/S1600536811034829/ng5218Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4-heptyl\u00adoxyphenyl groups are twisted with respect to the porphyrin mean plane, the dihedral angles being 88.5\u2005(3) and 79.1\u2005(2)\u00b0.In the title compound, [Ni(C DOI: 10.1107/S1600536810041942/fk2026Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni\u2014N distances within the square-shaped coordination environment are 1.951\u2005(2) and 1.954\u2005(2)\u2005\u00c5. Three terminal C atoms in one of the hexyl groups are disordered over two sets of sites, with site-occupancy factors of 0.615\u2005(13) and 0.385\u2005(13).The mol\u00adecule of the title compound, [Ni(C DOI: 10.1107/S160053681202226X/bt5904Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Within the pcp ligands, the dihedral angles between the polycyclic skeletons and pendant pyridine rings are 6.2\u2005(2) and 8.3\u2005(2)\u00b0. In the crystal, mol\u00adecules are linked by O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds. Several aromatic \u03c0\u2013\u03c0 stacking inter\u00adactions [shortest centroid\u2013centroid separation = 3.516\u2005(3)\u2005\u00c5] are also observed.In the title compound, [Mn(C DOI: 10.1107/S1600536811004569/hb5800Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen bonds lead to a chain along [010]. Intra\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds are observed.In the title compound, [Mn(C DOI: 10.1107/S1600536810048506/hy2382Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Ni(C DOI: 10.1107/S160053681201080X/br2191Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The thio\u00adphene ring is rotationally disordered over two orientations in a 1:1 ratio. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efCl and C\u2014H\u22efS hydrogen bonds.In the title compound, [PdCl DOI: 10.1107/S1600536811037214/cv5147Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 stacking between the pyridine rings in the bc plane [centroid\u2013centroid distance = 3.725\u2005(3)\u2005\u00c5] are present in the crystal structure.In the title compound, [CoBr DOI: Click here for additional data file.10.1107/S1600536812041980/xu5630Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Bridging by the two anions generates a layer structure parallel to (001); the layers are linked by O\u2014H\u22efN and O\u2014H\u22efBr hydrogen bonds, forming a three-dimensional network. The lone pair is stereochemically active, resulting in a \u03a8-dodeca\u00adhedral coordination environment for PbII.In the title coordination polymer, [PbBr(C DOI: 10.1107/S1600536812033776/ng5284Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing exhibits a short O\u22efBr inter\u00adaction [Br\u22efO = 3.185\u2005(3)\u2005\u00c5] and a weak inter\u00admolecular C\u2014H\u22efO contact.The title compound, C DOI: 10.1107/S1600536811010051/fy2003Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The angle between the N atoms in the bypyridine ligand and the metal ion is 56.80\u2005(8)\u00b0 and the N\u2014C\u2014C\u2014N torsion angle in the bi\u00adpyridine ligand is 1.7\u2005(4)\u00b0. The bi\u00adpyridine ligand is almost planar, the dihedral angle formed by the intersection of the planes defined by the pyridyl rings being 3.04\u2005(19)\u00b0, and the angle between the plane defined by the Ba2+ ion and the two bipyridyl N atoms and the plane defined by the 12 atoms of the bi\u00adpyridine ligand is 10.2\u2005(3)\u00b0. The average Ba\u2014N and Ba\u2014centroid distances are 0.16 and 0.14\u2005\u00c5 longer, respectively, than the equivalent distances in the isotypic strontium compound . This difference is in accord with the difference between the ionic radii of 0.16\u2005\u00c5 suggested by Shannon .In the title compound, [Ba(C al. 2008. Acta Cryst. 1976, A32, 75 DOI: 10.1107/S1600536813017170/hp2057Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The 6s 2 lone electron pair of the lead(II) ion becomes stereochemically active and is directed towards the apex of this pyramid. The crystal structure of the title compound consists of chains formed by the bis\u00ad(hinokitiolato)lead(II) mol\u00adecules situated along the twofold screw axis. The coordination sphere around the lead(II) ion is completed by three additional O atoms, at 2.625\u2005(7), 3.016\u2005(8) and 3.064\u2005(8)\u2005\u00c5, from the two neighbouring Pb(hino)2 units. Both isopropyl groups are rotationally disordered.In the title compound, [Pb(C DOI: 10.1107/S1600536810039978/bt5353Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate group acts as a bidentate ligand on one AgI atom and as a bridging group for a symmetry-related AgI atom, forming a dimer. Futhermore, the two N atoms of two thia\u00addiazole rings bridge a third symmetry-related AgI atom, forming a six-membered ring. These two frameworks, AgO2Ag and AgN4Ag, extend in three directions, forming a three-dimensionnal polymer. The whole polymer is organized around inversion centers.In the crystal structure of the title compound, [Ag(C DOI: 10.1107/S1600536810027029/dn2580Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the anions form extended chains along the a-axis direction, with C\u2014H\u22efN hydrogen bonds linking consecutive anions. The C\u00a0N bond lengths (and B\u2014C\u00a0N angles) in the nitrile moities are 1.1201\u2005(19)\u2005\u00c5, 178.60\u2005(15)\u00b0 and 1.1433\u2005(17)\u2005\u00c5, 179.45\u2005(15)\u00b0, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52\u2005\u00c5.In the title compound, C DOI: 10.1107/S1600536814004759/lr2122Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004759/lr2122Isup3.cdxSupporting information file. DOI: 989485CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The ligand Ni\u2014N distances range from 2.097\u2005(2) to 2.127\u2005(2)\u2005\u00c5 for the tripodal ligand and from 2.045\u2005(2) to 2.075\u2005(2)\u2005\u00c5 for the thio\u00adcyanate ligands. The dihedral angles between the three pyrazole rings are 59.03\u2005(12), 53.09\u2005(10) and 67.90\u2005(10)\u00b0.The title salt, (C DOI: 10.1107/S1600536812024774/tk5107Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One type of MnII ion is surrounded by five acetate groups and a terminal dimethyl sulfoxide group, while the other lies on a twofold axis and is coordinated by six O atoms from three symmetry-related acetate ions. The acetate anions exhibit three independent bridging modes, which flexibly bridge the MnII ions along the c-axis direction, forming an infinite chain structure; the chains are further inter\u00adconnected through weak C\u2014H\u22efO and C\u2014H\u22efS hydrogen-bonding inter\u00adactions.In the title complex, [Mn DOI: 10.1107/S1600536810042558/pv2332Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The octa\u00adhedral environment around niobium is slightly distorted with Nb\u2014O distances in the range 1.8603\u2005(15)\u20132.1083\u2005(15)\u2005\u00c5 and an Nb\u2014Cl distance of 2.4693\u2005(9)\u2005\u00c5. The O\u2014Nb\u2014O angles vary between 80.74\u2005(6) and 100.82\u2005(7)\u00b0, while the trans Cl\u2014Nb\u2014O angle is 167.60\u2005(5)\u00b0. There are no hydrogen bonds observed, only an inter\u00admolecular C\u2014H\u22efO inter\u00adaction.In the title compound, [Nb(CH DOI: 10.1107/S1600536810021719/pv2289Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure contains eight crystallographically unique sites in the asymmetric unit, all on special positions. Two Ba, one Cd and two Bi atoms have site symmetry 4mm, the third Bi atom has mmm. and the O atom has m2 symmetry; the second Cd site (2mm. symmetry) is not fully occupied. The layered structure is complex and can be considered as an inter\u00adgrowth of two types of slabs, viz. BaCdBiO with the ZrCuSiAs type and BaCd2Bi2 with the CeMg2Si2 type.Ba DOI: 10.1107/S1600536810046283/wm2421Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cs+ cation is six-coordinated by N atoms from six 5,5\u2032-diazenediylditetra\u00adzolide ligands. Each 5,5\u2032-diazenediylditetra\u00adzolide ligand is surrounded by 12 Cs+ cations, coordinating through ten N atoms. The Cs+ cations are arranged in a chain along the a-axis direction with a Cs\u22efCs separation of 4.4393\u2005(10)\u2005\u00c5. Such coordination leads to the formation of the three-dimensional framework.The asymmetric unit of the title compound, [Cs DOI: 10.1107/S1600536811008312/nk2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Dissertauer 2007. Dissert DOI: 10.1107/S1600536811041237/hp2013Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each PrIII ion is further coordinated by two chelating 2,2,6,6-tetra\u00admethyl-3,5-hepta\u00adnedionate (thd\u2212) ligands and one methanol mol\u00adecule. The distance between the two PrIII ions is 4.273\u2005(5)\u2005\u00c5. Intra\u00admolecular hydrogen bonds exists between the methanol hy\u00addroxy group on one PrIII atom and a chelating O atom of a thd\u2212 ligand coordinated to the symmetry-related PrIII atom.In the centrosymmetric dimeric title compound, [Pr DOI: 10.1107/S1600536811040128/su2313Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nitrate anions form a ring around one pair of double-stacked dications. An intricate three-dimensional N\u2014H\u22efO and N\u2014H\u22ef hydrogen-bonding network exists in the crystal structure.In the title molecular salt, C DOI: 10.1107/S1600536811042917/ez2262Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811042917/ez2262Isup3.mol Supplementary material file. DOI: 10.1107/S1600536811042917/ez2262Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The independent PdII atoms are in perfectly linear orientations of the ligands in mutually trans positions, but distortions of the Cl\u2014Pd\u2014P angles ranging from 86.151\u2005(19) to 93.849\u2005(19)\u00b0 are evident. The effective cone angles for the tris\u00ad[4-(trifluoro\u00admeth\u00adyl)phen\u00adyl]phosphane ligand were calculated to be 159 and 161\u00b0. In the crystal, weak C\u2014H\u22efCl/F inter\u00adactions create a three-dimensional supramolecular network. Loose packing at two of the \u2013CF3 groups resulted in large thermal vibrations which were treated as two-component disorders [occupancy ratios 0.50:0.50 and 0.628\u2005(15):0.372\u2005(15)].The title compound, [PdCl DOI: Click here for additional data file.10.1107/S1600536812046971/zq2189Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the structure, a crystallographic twofold rotation axis bis\u00adects the central C\u2014C bonds of the n-butyl spacers of the designated Schiff base ligands, making symmetry-related dimeric units, which are twisted around CuII atoms in a bis-bidentate coordination mode. In the crystal, these dimeric units are connected through the third bridging Cu\u2014O bonds [2.3951\u2005(13)\u2005\u00c5], forming one-dimensional coordination polymers, which propagate along [001]. Furthermore, inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.811\u2005(1)\u2005\u00c5] stabilize the crystal packing.The asymmetric unit of the title coordination polymer, [Cu(C DOI: 10.1107/S1600536811009974/su2262Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure consists of ThO7(OH2)2 tricapped trigonal prisms that share edges, forming [ThO5(OH2)2]n chains along [010]. The edge-sharing ThO7(OH2)2 polyhedra share one edge and five vertices with the V2O7 divanadate anions having a nearly ecliptic conformation parallel to [001]. This results in an open framework with the water mol\u00adecules located in channels. O\u2014H\u22efO hydrogen bonding between water molecules and framework O atoms is observed. Bond-valence-sum calculations are in good agreement with the chemical formula of the title compound.The title compound, Th(V DOI: 10.1107/S1600536811039584/fj2454Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efO, C\u2014H\u22efO and N\u2014H\u22efBr inter\u00adactions result in a two-dimensional polymeric network extending parallel to (010).In the anion of the title compound, (C DOI: 10.1107/S1600536811018058/ds2093Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two carbonyl groups are trans positioned with C=O bond lengths of 1.256\u2005(5)\u2005\u00c5, in agreement with a classical carbonyl bond. The Cu\u2014O bond length is 2.011\u2005(3)\u2005\u00c5. The two bromo\u00adbenzyl rings are approximately parallel to one another, forming a dihedral angle of 70.1\u2005(4)\u00b0 with the coordination plane.In the title complex, [CuBr DOI: 10.1107/S1600536812021460/ru2034Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812021460/ru2034Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the components are linked into a three-dimensional framework by inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and N\u2014H\u22efN and weak C\u2014H\u22efO hydrogen bonds. In addition, \u03c0\u2013\u03c0 stacking inter\u00adactions with centroid\u2013centroid distances in the range 3.4809\u2005(7)\u20133.8145\u2005(6)\u2005\u00c5 are observed.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536811027917/lh5282Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom and the two Br atoms are located on a threefold axis.In the title compound, [ZnBr(C DOI: 10.1107/S1600536811011809/rn2081Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds help to establish the packing.In the title compound, [Mn(NO DOI: 10.1107/S1600536810030114/hb5561Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is disordered over two sets of sites, with refined occupancies of 0.776\u2005(8) and 0.224\u2005(8). The distances from the Fe atom to the centroids of the unsubstituted and substituted cyclo\u00adpenta\u00addienyl (Cp) rings are 1.650\u2005(1) and 1.640\u2005(1)\u2005\u00c5, respectively. The Cp rings form a dihedral angle of 2.66\u2005(3)\u00b0.The asymmetric unit of the title complex, [Fe(C DOI: 10.1107/S1600536812002176/lh5405Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds connect mol\u00adecules into chains along [100] and there are \u03c0\u2013\u03c0 stacking inter\u00adactions between pairs of chains with a centroid\u2013centroid distance of 3.5485\u2005(15)\u2005\u00c5.In the title compound, C DOI: 10.1107/S160053681002979X/lh5093Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The trans-fused cyclo\u00adhexane and \u03b3-lactone rings of the \u03b1-santonin ring system adopt chair and envelope conformations, respectively, whereas the hexa\u00addiene ring is approximately planar [maximum deviation = 0.029\u2005(4)\u2005\u00c5] and forms a dihedral angle of 62.30\u2005(11)\u00b0 with the benzene ring. An intra\u00admolecular O\u2014H\u22efN hydrogen bond is observed.The title compound, C DOI: 10.1107/S1600536812027146/rz2770Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812027146/rz2770Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the two coordinated five-membered metalla rings is 37.5\u2005(3)\u00b0. The mol\u00adecular configuration is stabilized by two C\u2014H\u22efO and two C\u2014H\u22efN intra\u00admolecular hydrogen bonds. The crystal packing is dominated by van der Waals inter\u00adactions. Three atoms of the phenyl ring of the benzohydrazidate moiety are disordered over two sets of sites in a 0.625\u2005(18):0.375\u2005(18) ratio.In the title complex, [Cu(C DOI: 10.1107/S1600536811038931/bx2365Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The axial positions are occupied by two O,O\u2032-(o-phenyl\u00adene)dithio\u00adphosphate anions with long Cu\u22efS distances of 3.0940\u2005(7)\u2005\u00c5. Inter\u00admolecular N\u2014H\u22efS and C\u2014H\u22efO hydrogen bonding is present between the anions and the cation and helps to stabilize the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536810046684/xu5086Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked via inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming layers parallel to (001). Additional stabilization within these layers is provided by \u03c0\u2013\u03c0 [centroid\u2013centroid distances of 3.7848\u2005(9)\u20134.4231\u2005(9)\u2005\u00c5] stacking inter\u00adactions.The central CuN DOI: 10.1107/S1600536811013808/bq2292Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting helical chains extend along the b axis and are inter\u00adconnected by extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions, which also involve the water mol\u00adecule of solvation, giving a three-dimensional structure.In the title coordination complex, {[Cd(C DOI: 10.1107/S1600536811004867/zs2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The apical positions are occupied by two C atoms of 4-fluoro\u00adbenzyl groups.In the title complex, [Sn(C DOI: 10.1107/S1600536811054274/hp2022Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination about the Mn(II) ions is distorted octahedral with a MnClN4O coordination set. In the crystal, the polymeric chains are linked by O\u2014H\u22efCl hydrogen bonds, forming a two-dimensional network parallel to (100). A number of C\u2014H\u22efCl and C\u2014H\u22efO inter\u00adactions are also present.The title coordination polymer, {[MnCl(C DOI: 10.1107/S1600536810054383/su2233Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The range of Ag\u2014O bond lengths is 2.169\u2005(2)\u20132.433\u2005(2)\u2005\u00c5, whereas the Ag\u22efAg separations are in the range 2.8674\u2005(4)\u20133.6256\u2005(5)\u2005\u00c5. The 2-methyl\u00adbenzoate groups are oriented at a dihedral angle of 60.7\u2005(1)\u00b0 with respect to each other.The crystal structure of the title compound, [Ag DOI: 10.1107/S1600536811016801/ez2241Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh\u2014P = 2.3237\u2005(6) and 2.3253\u2005(6)\u2005\u00c5, Rh\u2014Cl = 2.3724\u2005(6)\u2005\u00c5, Rh\u2014C = 1.802\u2005(2)\u2005\u00c5, P\u2014Rh\u2014P = 173.42\u2005(2)\u00b0 and Cl\u2014Rh\u2014C = 179.13\u2005(7)\u00b0. Effective cone angles for the two P atoms are 165 and 161\u00b0, respectively. Both isopropyl groups and the acetone mol\u00adecule are disordered with occupancy values of 0.523\u2005(5):0.477\u2005(5), 0.554\u2005(8):0.446\u2005(8) and 0.735\u2005(4):0.265\u2005(4), respectively. The crystal packing is stabilized by weak C\u2014H\u22efO and C\u2014H\u22efCl contacts.The title rhodium Vaska-type complex, DOI: 10.1107/S1600536811033447/zl2392Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-aza\u00addithiol\u00adate moiety in which a boat six-membered ring is fused with a chair six-membered ring. The substituted benzyl group attached to the bridging N atom resides in an equatorial position. The sum of the C\u2014N\u2014C angles around this N atom [331.9\u2005(12)\u00b0] indicates sp3 hybridization.The title compound, [Fe DOI: 10.1107/S1600536812006861/lr2050Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoIII atom is coordinated by one phenolate O, one imine N, and one amine N atom of the tridentate Schiff base ligand, two O atoms of the 2-acetyl\u00adphenolate anion and one thio\u00adcyanate N atom. This results in a fairly regular fac-CoN3O3 octa\u00adhedral coordination geometry for the metal ion. The dihedral angle between the two benzene rings is 88.3\u2005(3)\u00b0.The title mononuclear cobalt(III) complex, [Co(C DOI: 10.1107/S1600536811025116/hb5932Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The components are linked into chains parallel to the a axis by N\u2014H\u22efCl hydrogen bonds.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811044230/go2034Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As the non-coordinating thione S atom is proximate to the Sn atom [Sn\u22efS(thione) = 3.1477\u2005(6) and 2.9970\u2005(5)\u2005\u00c5 for the independent mol\u00adecules], distortions from the ideal geometry are evident [the widest angle being 120.48\u2005(5)\u00b0]. The most notable feature of the crystal packing is the formation of C\u2014H\u22ef\u03c0 inter\u00adactions that lead to the formation of supra\u00admolecular layers parallel to (The title compound, [Sn(C DOI: 10.1107/S1600536811053591/qm2044Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry about the Zn atom is distorted tetra\u00adhedral, with the largest deviation observed in the magnitude of the Cl\u2014Zn\u2014Cl angle. Similar distortions are observed in the cobalt analogue and related zinc compounds containing metallocyclic rings with more than six members. The copper analogue exhibits a more severe distortion of the metal coordination sphere than is observed in the title compound.The title zinc complex, [ZnCl DOI: 10.1107/S1600536811046368/lr2035Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure of katayamalite contains a set of six-membered silicate rings inter\u00adconnected by sheets of Ca atoms on one side and by an ordered mixture of Li, Ti and K atoms on the other side, forming layers which are stacked normal to (001). From the eight different metal sites, three are located on special positions, viz. one K and one Li atom on twofold rotation axes and one Ca atom on an inversion center. The Raman spectrum of kataymalite shows a band at 3678\u2005cm\u22121, similar to that observed for hydroxyl-amphiboles, indicating no or very weak hydrogen bonding.The crystal structure of katayamalite, ideally KLikami 1985. Mineral DOI: 10.1107/S1600536813016620/wm2749Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cation is located on a special position on a twofold rotation axis which passes through the MgII atom and the centroid of the 2,2\u2032-bipyridine ligand. The 2,2\u2032-bipyridine ligands exhibit nearly perfect coplanarity (r.m.s. deviation = 0.0035\u2005\u00c5) . In the crystal, O\u2014H\u22efO and C\u2014H\u22efO, C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions link the cations and anions into a three-dimensional supra\u00admolecular network. One Br atom is disordered over two sites with occupancy factors of 0.55 and 0.45.In the complex cation of the title compound, [Mg(C DOI: 10.1107/S1600536810041474/rk2240Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two 2-ethyl imidazolium cations in the asymmetric unit differ in the orientation of the ethyl group, with N\u2014C\u2014C\u2014C torsion angles of \u2212170.0\u2005(4) and \u221287.6\u2005(5)\u00b0.In the crystal structure of the title salt, (C DOI: 10.1107/S160053681005261X/vm2067Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two AgI atoms are bridged by one trans-bpe ligand, generating a dinuclear cation. The dinuclear cation is located on a centre of inversion, which is in the middle of the ethyl\u00adene fragment of the bpe ligand. In the crystal, the pyridyl rings of neighboring dinuclear units are stacked by \u03c0\u2013\u03c0 inter\u00adactions with centroid\u2013centroid distances of 3.667\u2005(2) and 3.835\u2005(2)\u2005\u00c5. The F and O atoms of the CF3SO3 \u2212 anions are involved in inter\u00admolecular C\u2014H\u22efF and C\u2014H\u22efO hydrogen-bonding inter\u00adactions, respectively, with \u2013CH groups from the phtpy ligands.In the title compound, [Ag DOI: 10.1107/S1600536810031776/zl2294Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak C\u2014H\u22ef\u03c0 inter\u00adactions occur between adjacent complex cations.In the title compound, [Cu(C For rel al. 1997; Comba e al. 1999; Rudawsk al. 1999.27H26P2)2][GaCl4] = 0.055wR(F2) = 0.159S = 1.0412058 reflections577 parametersH-atom parameters constrainedmax = 0.85 e \u00c5\u22123\u0394\u03c1min = \u22120.76 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812024269/xu5551Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the components are linked by C\u2014H\u22efBr inter\u00adactions, thereby generating a three-dimensional network.In the title mol\u00adecular salt, (C DOI: 10.1107/S1600536811034830/hb6385Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuI atom displays a tetra\u00adhedral coordination environment, formed by one S atom and three N atoms from one 2-(pyridin-2-yldisulfan\u00adyl)pyridine and two dicyanamide ligands. The crystal structure is stabilized by C\u2014H\u22efN hydrogen bonds, forming a three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536811002728/zq2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of two ZnII atoms, two tetrahydrofuran ligands, one 2,3,5,6-tetra\u00adfluoro\u00adbenzene-1,4-di\u00adcarboxyl\u00adate ligand and two half 2,3,5,6-tetra\u00adfluoro\u00adbenzene-1,4-di\u00adcarboxyl\u00adate ligands, which are completed by inversion symmetry. One ZnII atom has a distorted trigonal\u2013bipyramidal coordination geometry, while the other has a distorted octa\u00adhedral geometry. Two independent tetra\u00adhydro\u00adfuran ligands are each disordered over two sets of sites with occupancy ratios of 0.48\u2005(4):0.52\u2005(4) and 0.469\u2005(17):0.531\u2005(17).The title compound, [Zn DOI: 10.1107/S1600536813031887/is5307Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The Sn(IV) atom shows a distorted trans-C3SnO2 trigonal-bipyramidal coordination and is displaced by 0.113\u2005(2)\u2005\u00c5 out of the C3Sn girdle in the direction of the covalently bonded O atom. The ring is disordered of two positions with an occupancy of 0.631\u2005(4) for the major occupied site.Adjacent units of the title polymeric complex, [Sn(C DOI: 10.1107/S1600536810028321/bt5300Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric units consists of one Cd2+ cation, which is situated on a center of inversion, as well as one seleno\u00adcyanate anion and one 3-acetyl\u00adpyridine ligand in general positions. The metal cations are \u03bc-1,3-bridged via the seleno\u00adcyanate anions into chains along the a axis.In the crystal structure of the title compound, [Cd(NCSe) DOI: 10.1107/S1600536812018375/bt5897Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The uncoordinating phen mol\u00adecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3\u2005(4)\u00b0]. The centroid\u2013centroid distance of 3.801\u2005(5)\u2005\u00c5 between pyridine rings suggests the existence of \u03c0\u2013\u03c0 stacking. The crystal structure contains an extensive network of classical O\u2014H\u22efO and N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds. C\u2014H\u22ef\u03c0 inter\u00adactions between phen and 4-hy\u00addroxy\u00adbenzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center.In the title compound, C DOI: 10.1107/S1600536810051767/xu5103Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SbV atom is in a distorted trigonal\u2013bipyramidal environment with the carboxyl\u00adate O atoms in axial positions and phenyl C atoms in the equatorial plane. As a result of additional Sb\u22efO inter\u00adactions, one of the C\u2014Sb\u2014C angles is widened to 140.19\u2005(6)\u00b0.The asymmetric unit of the title compound, [Sb(C DOI: Click here for additional data file.10.1107/S1600536813004674/yk2083Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure represents a second crystal form of the salt, the first being an acetonitrile solvate [Watton :0.1385\u2005(17).The title compound, [Cu(CHtton 2009. Acta Cr DOI: 10.1107/S1600536810042285/fj2351Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion is coordinated in a distorted square-planar geometry by the tetra\u00addentate ligand. The dihedral angle between the two symmetry-related benzene rings is 47.12\u2005(8)\u00b0. In the crystal, pairs of symmetry-related O\u2014H\u22efO hydrogen bonds form R 2 2(6) ring motifs. In addition, there are weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds, and \u03c0\u2013\u03c0 stacking inter\u00adactions with a centroid\u2013centroid distance of 3.4760\u2005(8)\u2005\u00c5.In the title compound, [Ni(C DOI: 10.1107/S1600536811054262/lh5396Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chains are arranged along the b-axis direction, forming a layer structure extending in the bc plane. O\u2014H\u22efO hydrogen bonding between the layers results in the formation of a three-dimensional supra\u00admolecular framework. The structure is isotypic with the Zn analogue .The water-coordinated Ni DOI: 10.1107/S1600536812001900/hp2024Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001900/hp2024Isup4.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The complex was prepared via the nitration of tris\u00adcobalt(III) with a solution of copper(II) nitrate in glacial acetic acid. The central C atom and the nitro group of one 3-nitro\u00adpentane-2,4-dionate ligand are disordered over two positions with an occupancy ratio of 0.848\u2005(4):0.152\u2005(4). A second nitro group is also disordered over two orientations with an occupancy ratio of 0.892\u2005(7):0.108\u2005(7). Two of the ligand methyl groups form C\u2014H\u22efO inter\u00adactions with two different nitro groups to form chains running along the c axis. Additional C\u2014H\u22efO inter\u00adactions are found between ligand methyl groups and the cobalt-bound O atoms, also resulting in the formation of chains along the c axis.The structure of the title compound, [Co(C DOI: 10.1107/S160053681200668X/zl2451Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S160053681200668X/zl2451Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The 1,4-diazo\u00adniabicyclo\u00ad[2.2.2]octane cation is located about a twofold rotation axis. Inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the cations and the anions into a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536811005368/hy2403Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl groups are trans to each other in the octa\u00adhedron surrounding the metal atom [C\u2014Sn\u2014C = 176.61\u2005(12)\u00b0].In the title compound, [Sn(CH DOI: 10.1107/S1600536811001735/bt5462Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete cation is generated by crystallographic twofold symmetry, with the V atom lying on the rotation axis. The unusual ligand arose from nucleophilic attack on the coordinated nitrile by the thiol\u00adate precursor and reduction of nitrile to the imidate.In the title compound, [N(C DOI: 10.1107/S1600536810022014/hb5425Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two cyclo\u00adpenta-1,3-diene rings of the ferrocene unit is 2.2\u2005(2)\u00b0. The mol\u00adecules are stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adaction within the crystal lattice.In the title compound, [Fe(C DOI: 10.1107/S1600536811000766/pb2052Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Cd(C5H10NS2)2(C10H8N2)], exists in an N2S4 donor set defined by two chelating dithio\u00adcarbamate anions as well as a 2,2\u2032-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C\u2014H\u22efS inter\u00adactions, leading to linear supra\u00admolecular chains along the a axis. The primary connections between these are by \u03c0\u2013\u03c0 stacking inter\u00adactions [ring centroid distance between centrosymmetrically related pyridyl rings = 3.7455\u2005(10)\u2005\u00c5]. Overall, the crystal structure may be described as comprising double layers of mol\u00adecules that stack along the b axis.The Cd DOI: 10.1107/S1600536811012414/hb5834Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Na+ ion is six-coordinated by four O atoms from the two ligands and two F atoms of two tetra\u00adfluoridoborate anions. The tetra\u00adfluoridoborate anion links the Na+ ions, forming a one-dimensional structure along [001]. Three F atoms of the tetra\u00adfluoridoborate anion are disordered over two sets of sites, with an occupancy ratio of 0.790\u2005(11):0.210\u2005(11).In the title heterodinuclear complex, [CuNa(BF DOI: 10.1107/S1600536811051713/hy2490Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C\u2014H\u22efCl contacts are present. Two of these form a motif described as R21(6) in graph-set notation, while a third forms an R22(8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.In the title compound, [IrCl(C N-heterocyclic carbene (NHC) ligands, see: Gusev (C17H25N3)] = 0.025wR(F2) = 0.059S = 1.036993 reflections313 parameters106 restraintsH-atom parameters constrainedmax = 1.33 e \u00c5\u22123\u0394\u03c1min = \u22121.83 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536812000992/fj2494Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812000992/fj2494Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The [TcO2(CN)4]3\u2212 trans-tetra\u00adcyanido\u00addioxido\u00adtechnetate anion has a slightly distorted octa\u00adhedral configuration. The Tc atom is located on a center of inversion and is bound to two O atoms in axial and to four cyanide ligands in equatorial positions. The Tc\u2014O distance is consistent with a double-bond character. The two potassium cations, one located on a center of inversion and one in a general position, reside in octa\u00adhedral or tetra\u00adhedral environments, respectively. K\u22efO and K\u22efN inter\u00adactions occur in the 2.7877\u2005(19)\u20132.8598\u2005(15)\u2005\u00c5 range.The structure of the title compound, tripotassium DOI: 10.1107/S1600536810028205/wm2375Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The amino group is nearly coplanar with the 1,2,4-triazole ring [interplanar angle = 4.08\u2005(8)\u00b0] and has a slightly pyramidal configuration. The mean planes of the triazole ring and the benzene ring of the phenacyl group form a dihedral angle of 88.58\u2005(7)\u00b0. In the crystal, N\u2014H\u22efBr, N\u2014H\u22efO and O\u2014H\u22efBr hydrogen bonds link the cations, anions and ethanol mol\u00adecules into layers parallel to the bc plane.In the title compound, C DOI: 10.1107/S1600536813025853/aa2095Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813025853/aa2095Isup3.cdxSupplementary material file. DOI: Click here for additional data file.10.1107/S1600536813025853/aa2095Isup4.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The linear mol\u00adecule L acts as a bidente bridging ligand, connecting the metal atoms into a chain along [101].In the title compound, [Cu(CHO DOI: 10.1107/S1600536811024019/rn2086Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl-bearing C atom in the cyclo\u00adpentane ring is disordered over two positions with a site-occupation factor of 0.899\u2005(8) for the major occupied site.The exocyclic C=C double-bond in the title compound, C DOI: 10.1107/S1600536811033708/bt5619Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033708/bt5619Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoIII\u2014N bond lengths lie in the range 1.956\u2005(4)\u20131.986\u2005(4)\u2005\u00c5. In the anion, the InIII atom is seven-coordinated by six O atoms from three oxalate ligands and by a water mol\u00adecule. The cations and anions are linked by extensive O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, forming a supermolecular network.In the cation of the title compound, [Co(C DOI: 10.1107/S1600536811053736/fj2490Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule exhibits a ruffled macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (\u039424) of 0.26\u2005\u00c5 and an average Ni\u2014N bond length of 1.931\u2005(2)\u2005\u00c5. In line with the asymmetrical substituent pattern, the degree of distortion is slightly larger at point of attachment of the meth\u00adoxy(phen\u00adyl)methyl residue than at the unsubstituted meso position. The meth\u00adoxy group attached to the chiral C atom is disordered in a 0.534\u2005(4):0.466\u2005(4) ratio.The title compound, [Ni(C DOI: 10.1107/S1600536811002960/go2001Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion is penta\u00adcoordinated in a quadratic pyramidal mode. The quadratic plane is formed by the O,O\u2032,N-tridentate ligand and a pyridine mol\u00adecule. The fifth coordination site is occupied by the O atom of another ligand showing a significantly longer Cu\u2014O bond.The crystal structure of the title complex, [Cu For further details of the chemistry of the title compound, see: Salem 1998. For a r2(C15H10Cl2N2O2)2(C5H5N)2] = 0.026 wR(F 2) = 0.064 S = 1.02 3411 reflections255 parametersH-atom parameters constrainedmax = 0.22 e \u00c5\u22123 \u0394\u03c1min = \u22120.23 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811050720/bt5720Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each terephthalate ligand acts as a bis-monodentate ligand that binds two CuII atoms, thus forming two unique chains extending parallel to [110]. The imidazole ligands are attached on both sides of the chains.In the title compound, [Cu(C DOI: 10.1107/S1600536811024822/jh2303Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The five-membered ring adopts a distorted envelope conformation with PdII as the flap atom, while the six-membered ring forms a slightly twisted screw-boat conformation. A slightly distorted screw-boat form of a meth\u00adoxy\u00adphenyl group is fused to the six-membered ring. Weak C\u2014H\u22efO inter\u00adactions form dimers in the asymmetric unit and along [001] which help to stabilize the crystal packing.In the title compound, [Pd(C DOI: 10.1107/S1600536813023040/bv2224Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Fe\u2014N bond length is 1.924\u2005(3)\u2005\u00c5 and the Fe\u2014Cp* centroid distance is 1.722\u2005\u00c5.In the structure of the title compound, [Fe{\u03b7 DOI: 10.1107/S1600536811021350/hg5040Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The deprotonated PAA ligands are coordinated to the GdIII atom either as chelating on the same metal or in a tridentate bridging mode. Numerous O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds involving hydroxyl, coordinated and uncoordinated water mol\u00adecules build up an intricate three-dimensional network.In the dinuclear title complex, [Gd DOI: 10.1107/S1600536810041255/dn2609Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The sum of the bond angles at the NiII atom is 358.68\u2005(6)\u00b0, with C\u2014Ni\u2014P bite angles of 82.89\u2005(5) and 84.08\u2005(6)\u00b0. The two carbene rings make a dihedral angle of 52.65\u2005(8)\u00b0.The mol\u00adecular structure of the title compound, [Ni(C DOI: 10.1107/S1600536812028784/bt5955Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The fumarate ligand lies on an inversion center. Adjacent SmIII ions are bridged by the maleate and fumarate ligands, forming a layer parallel to (011). The layers are further linked by inter\u00admolecular O\u2014H\u22efO hydrogen bonds into a three-dimensional supra\u00admolecular network.In the title coordination polymer, {[Sm DOI: 10.1107/S1600536810045204/hy2363Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of three crystallographically independent CoII cations, six thio\u00adcyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordin\u00adating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The CoII cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261\u2005(2) for the minor domain.In the crystal structure of the title compound, [Co(NCS) DOI: 10.1107/S1600536812019009/bt5886Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cations are arranged in a head-to-tail fashion and form stacks along [100]. The central CuII atom of the anion is in a distorted tetra\u00adhedral environment.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811012840/gk2356Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two L ligands coordinate the GdIII ion in a monodentate mode, while the third coordinates it in a bidentate\u2013chelating coordination mode. An extensive three-dimensional O\u2014H\u22efO hydrogen-bonding network consolidates the crystal packing.In the title compound, [Gd(C DOI: 10.1107/S1600536811016163/cv5069Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Eight CeIII ions and twelve pda ligands form a large [Ce8(pda)12] ring, and four CeIII ions and six pda ligands form a small [Ce4(pda)6] ring. The rings are further connected by the coordination inter\u00adactions of pda ligands and CeIII, generating a three-dimensional supra\u00admolecular framework.In the title coordination polymer, [Ce DOI: 10.1107/S1600536811003801/pv2385Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting coordination polyhedron is a near regular ZnN2O3 trigonal bipyramid, with the N atoms in axial sites. The 4,4\u2032-bpy mol\u00adecules [dihedral angle between the aromatic rings = 17.2\u2005(2)\u00b0] act as bridges, connecting the metal ions into an infinite polymeric chain propagating in [In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811016424/hb5859Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hy\u00addroxy group of the hy\u00addroxy\u00adacetate ligand links with the counter NO3 \u2212 anion via a pair of bifurcated O\u2014H\u22efO hydrogen bonds. The centroid\u2013centroid distance of 3.5676\u2005(14)\u2005\u00c5 between benzene rings of parallel phen ligands of adjacent mol\u00adecules suggests the existence of \u03c0\u2013\u03c0 stacking. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is also present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811013110/xu5175Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Eu atom is in a pseudo-bicapped square-anti\u00adprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy\u00addroxy\u00adbenzoate (DHB) ligands and the other two from a nitrate anion. \u03c0\u2013\u03c0 stacking inter\u00adactions between phen and DHB ligands [centroid\u2013centroid distances = 3.5312\u2005(19) and 3.8347\u2005(16)\u2005\u00c5], and between phen and phen ligands [face-to-face separation = 3.433\u2005(4)\u2005\u00c5] of adjacent complexes stabilize the crystal structure. Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are observed in the DHB ligands.The title mononuclear complex, [Eu(C DOI: 10.1107/S1600536810047148/su2227Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thio\u00adphene ring is rotationally ordered, unlike in the majority of crystal structures containing this group.In the title compound, [Pd(CH Cl(C24H20NPS)] = 0.024wR(F2) = 0.062S = 1.114048 reflections272 parametersH-atom parameters constrainedmax = 0.50 e \u00c5\u22123\u0394\u03c1min = \u22120.44 e \u00c5\u22123\u0394\u03c1APEX2 I, New_Global_Publ_Block, global. DOI: 10.1107/S1600536812007295/lh5417Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII atoms are bridged by isophthalate and 3-carb\u00adoxy\u00adbenzoate ligands, forming a chain structure along the b axis. Furthermore, the chains are linked by O\u2014H\u22efO hydrogen bonds, forming a layer parallel to the ab plane.In the title compound, [Cu DOI: 10.1107/S1600536811008993/is2675Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal center is coordinated by six O atoms from four 5-chloro\u00adsalicylate ligands and two N atoms from a chelating phenanthroline ligand. The polymeric structure is built up from bridging carboxyl\u00adate O atoms, forming chains along [100]. The crystal structure is stabilized by \u03c0\u2013\u03c0 inter\u00adactions between the 1,10-phenanthroline and 5-chloro\u00adsalicylate ligands, the shortest centroid\u2013centroid separation between neighbouring aromatic rings being 3.652\u2005(1)\u2005\u00c5.In the title polymer, [Pb(C DOI: 10.1107/S1600536810023561/bh2289Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the CuII ion is distorted square-planar, which is defined by the N2O2 donor atoms of the coordinated Schiff base ligand. The dihedral angle between the symmetry-related substituted benzene rings is 25.33\u2005(14)\u00b0. The crystal structure is stabilized by an inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adaction [centroid\u2013centroid distance = 3.8891\u2005(18)\u2005\u00c5].In the title compound, [Cu(C DOI: 10.1107/S1600536812009397/bv2199Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The conformation of the first P2O7 group is eclipsed, whereas that of the second is staggered. All atoms are in general positions except for two nickel and one potassium ions which lie on symmetry centers. Moreover, the structure exhibits disorder of the cationic sites with one general position fully occupied equally by Na+ and Ni2+ cations. This mixed site is surrounded by five O atoms forming a square-based pyramid. The crystal structure consists of edge-sharing [NiO6] octa\u00adhedra forming infinite zigzag chains [Ni3O14] running parallel to [100]. Adjacent chains are connected through apices to P2O7 groups and to another [NiO6] or to a [KO6] octa\u00adhedron. The resulting three-dimensional framework presents inter\u00adsecting tunnels running along the [010] and [001] directions in which the seven- and nine-coordinated potassium cations are located. The crystal structure of this new phosphate represents a new structural type.The structure of the title compound, NaK DOI: 10.1107/S160053681202017X/br2200Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "This phase, whose composition was confirmed by ICP analysis, is isotypic with the alluaudite-like phosphates, thus it exhibits the (A2)(A\u20322)(A1)(A\u20321)(A\u2032\u20321)(M1)(M2)2(PO4)3 general formula. The site occupancies led to the following cation distribution: 0.53\u2005K on A\u20322 (site symmetry 2), 0.31 Mn on A\u2032\u20321, 1.0 Mn on M1 (site symmetry 2) and (0.62 Fe + 0.38 Mn) on M2. The structure is built up from infinite chains of edge-sharing M1O6 and M2O6 octa\u00adhedra. These chains run along , which are partially occupied by the K+ and Mn2+ cations.During an attempt to crystallize potassium manganese diiron phosphate KMnFe DOI: 10.1107/S1600536810051238/br2150Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO hydrogen bonding forms a one-dimensional motif parallel to the cell ab diagonal.In the title complex, [Co(NCS) DOI: 10.1107/S1600536811029060/qm2016Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title diorganotin dithio\u00adcarbamate, [Sn(C4H9)2Cl(C10H12NS2)], is penta\u00adcoordinated by an asymmetrically coordinating dithio\u00adcarbamate ligand, a Cl and two C atoms of the Sn-bound tert-butyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter\u00admediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former. In the crystal structure, C\u2014H\u22ef\u03c0 contacts link centrosymmetrically related mol\u00adecules into dimeric aggregates.The Sn DOI: 10.1107/S1600536811006398/zs2099Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The quaternary C atoms of the complexed arene ring are located at the longest distance from the Fe atom, with Fe\u2014C distances of 2.112\u2005(4) and 2.105\u2005(3)\u2005\u00c5, which are slightly longer than the average Fe\u2014C distance for this ring (2.083\u2005\u00c5). The Fe ion is located 1.660\u2005(1) and 1.543\u2005(1)\u2005\u00c5, respectively, from the cyclo\u00adpenta\u00addienyl and the complexed arene ring.At 296\u2005(2)\u2005K, both complexed rings in the iron(II) complex cation of the title salt, [Fe(C DOI: 10.1107/S1600536810033179/si2288Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Additionally, the [{Cp(CO)3Mo}PbAc] units are linked along [100] by Pb\u2014O(acetate) inter\u00adactions, giving a ladder-type polymeric structure composed of PbCO2 and Pb2O2 four-membered rings. The {Cp(CO)3Mo} units attached to the PbII atom occupy terminal positions at opposite sides of the slightly puckered lead acetate chain. The angle between the Pb\u2014Mo bond vector and the central chain plane is 67.8\u2005(2)\u00b0.In the title compound, [MoPb(C DOI: 10.1107/S1600536812024737/wm2639Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The 2-phenyl\u00adpyridine ligands are not planar, the dihedral angles between the pyridine and benzene rings being 50.1\u2005(2) and 45.7\u2005(2)\u00b0. An inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adaction between the six-membered rings is present, the ring centroid\u2013centroid distance being 3.898\u2005(4)\u2005\u00c5.In the title complex, [PdI DOI: 10.1107/S1600536811055425/is5038Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The central CuII atom exhibits a distorted square-planar coordination geometry, defined by two O atoms, one N atom from the ligand and one pyridine N atom with Cu\u2014N distances of 1.874\u2005(4) and 1.963\u2005(4)\u2005\u00c5, while the Cu\u2014O distances are 1.857\u2005(3) and 1.890\u2005(3)\u2005\u00c5. An intra\u00admolecular O\u2014H\u22efN inter\u00adaction occurs.The mononuclear title complex, [Cu(C DOI: 10.1107/S1600536810047719/bx2325Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom shows a distorted square-planar geometry. The dihedral angle between the two aromatic rings is 48.16\u2005(13)\u00b0. The crystal structure is stabilized by inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions with centroid\u2013centroid distances in the range 3.485\u2005(2)\u20133.845\u2005(3)\u2005\u00c5.The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536810053183/jh2247Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by N\u2014H\u22efCl hydrogen bonds, forming a layered arrangement parallel to (1-10). In the title compound, [CoCl(C DOI: Click here for additional data file.10.1107/S1600536813004650/bt6888Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The N2S4 donor set about Zn is defined by two symmetrically chelating dithio\u00adcarbamate ligands and a 1,10-phenanthroline ligand. Distortions from the ideal octa\u00adhedral coordination geometry arise from the restricted bite angles of the ligands. The main feature of the crystal packing is the formation of tetra\u00admeric supra\u00admolecular aggregates mediated by C\u2014H\u22efS inter\u00adactions. Disorder was found in each of the sec-butyl groups. This was resolved over two positions in each case with the major components of the disorder having site occupancies in the range 0.551\u2005(6)\u20130.725\u2005(5).Two independent but very similar mol\u00adecules comprise the asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536810033672/bt5329Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The fundamental building units of the structure are LiO4 polyhedra , and the Li/Eu atoms are coordinated by eight O atoms in a distorted square-antiprismatic manner.The title compound, Li DOI: 10.1107/S1600536812000268/ru2018Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Both the cation and the anion lie on twofold axes which pass through the central N atom in the cation and through the SnIV atom in the anion. In the crystal, the ions inter\u00adact only through a weak inter\u00adaction between the Cl atom of the anion and an H atom of a phenyl ring of the cation.The structure of the title compound, [Ph DOI: 10.1107/S1600536811035422/su2296Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035422/su2296Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The AlIII and NbV atoms occupy the same site on the 6 octa\u00adhedra and PO4 tetra\u00adhedra (. 2 symmetry), which are further inter\u00adlocked by corner-sharing O atoms, leading to a three-dimensional framework structure with infinite channels along the a axis. Single crystals of the title compound, aluminium niobium triphosphate, Al DOI: 10.1107/S1600536811003886/fj2384Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HL ligands chelate with a strong Sm\u2014O(deprotonated phenolic) bond and a weak Sm\u2014O(meth\u00adoxy) contact. The latter can be inter\u00adpreted as the apices of the bicapped square-anti\u00adprismatic SmIIIO9 polyhedron. The Schiff base ligands are in a zwitterionic state with the phenolic H atom transferred to the imine N atom. O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds lend stability to the structure. One O atom of one nitrate group is equally disordered over two positions.The asymmetric unit of the title compound, [Sm(NO DOI: 10.1107/S1600536811000407/bv2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxyl\u00adate group is almost perpendicular to the pyran ring [89.4\u2005(1)\u00b0].In the title compound, C DOI: 10.1107/S1600536810054036/bx2338Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds, as well as \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings of the pydc ligands [centroid\u2013centroid distance = 3.4714\u2005(14)\u2005\u00c5] are present. C=O\u22ef\u03c0 inter\u00adactions between the carbonyl groups and pyridine rings [O\u22efcentroid distances = 3.150\u2005(2) and 3.2233\u2005(19)\u2005\u00c5] are also observed.In the title compound, (C DOI: 10.1107/S1600536811024378/hy2413Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both types of DCT ligands act as bridging, forming a one-dimensional polymeric structure propagating parallel to [10In the title compound, {(C DOI: 10.1107/S1600536810051366/lh5182Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The binuclear anion exhibits a pseudo-threefold symmetry and contains two six-coordinate Mn atoms. Each metal atom is coordinated by three facially oriented CO ligands and three doubly-bridging phenolate ligands. The average O\u2014Mn\u2014O bond angle is 74.9\u2005(7)\u00b0 in the Mn2O3 metal\u2013phenolate dimeric core, yielding a distorted octa\u00adhedron for each metal.The title compound, (C DOI: 10.1107/S1600536811029266/bg2415Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by N\u2014H\u22efO, C\u2014H\u22efO and C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.5469\u2005(16)\u2005\u00c5] between the pyridyl and benzene rings. The shortest Ag\u22efAg distance is 3.2574\u2005(5)\u2005\u00c5.In the title compound, [Ag(C DOI: 10.1107/S1600536810025511/zl2286Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine rings of the Schiff base is 54.39\u2005(18)\u00b0. In the crystal, the components are linked by C\u2014H\u22efF inter\u00adactions.In the title compound, [CuBr(C For a related structure and background references, see: Liu 2011. 17H20N4)]BF4 = 0.038 wR(F 2) = 0.087 S = 1.05 3683 reflections255 parametersH-atom parameters constrainedmax = 0.39 e \u00c5\u22123 \u0394\u03c1min = \u22120.46 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811022513/hb5900Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The H atom of the hy\u00addroxy group is located nearer to an isoprop\u00adoxy group with the longest Sn\u2014O bond [2.1789\u2005(17)\u2005\u00c5].The binuclear centrosymmetric title compound, [Sn DOI: 10.1107/S1600536812007799/hy2517Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812007799/hy2517Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cyclo\u00adpentyl ring in L is disordered over two conformations in a 0.640\u2005(19):0.360\u2005(19) ratio.In the title compound, [Co(C DOI: 10.1107/S1600536811002194/cv5039Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N\u2014H\u22efO hydrogen-bonding inter\u00adactions between the NH3 + substituents of the 4-fluoro\u00adanilinium cations and the O atoms of the crown ether mol\u00adecules result in a rotator\u2013stator-like structure.The reaction of 4-fluoro\u00adaniline hydro\u00adchloride, 18-crown-6 and ferric chloride in methano\u00adlic solution yields the title compound, (C DOI: 10.1107/S160053681002009X/im2203Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the mononuclear complexes are linked by N\u2014H\u22efCl hydrogen bonds into a two-dimensional network in the ab plane.In the title compound, [CdCl DOI: 10.1107/S160053681201104X/su2390Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The seven-membered ring adopts a distorted half-chair conformation.In the crystal structure of the title compound, C DOI: 10.1107/S1600536810052888/bt5422Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536813025464/hp2061Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two aromatic rings are essentially planar with the same maximum deviation of 0.009\u2005\u00c5. The mean planes of the phenyl and cyclo\u00adpenta\u00addienyl rings bis\u00adect at an acute angle of 50.08\u00b0.The title compound, [Fe(C DOI: 10.1107/S160053681101511X/dn2676Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PtIV atom in each complex cation exhibits a distorted octa\u00adhedral coordination geometry, built up by three methyl ligands in a facial binding fashion, a bipyridine ligand and a monodentately N-bound 2-methyl\u00adsulfanyl-2-thia\u00adzoline ligand (configuration index: OC-6\u201333). In the crystal structure, weak inter\u00admolecular C\u2014H\u22efF hydrogen bonds are found between the complex cations and BF4 \u2212 anions.The asymmetric unit of the title complex, [Pt(CH DOI: 10.1107/S1600536810027546/hy2325Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [ZnCl4]2\u2212 anions have a distorted tetra\u00adhedral geometry. Weak inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions exist between neighbouring aromatic rings of the cations with a centroid\u2013centroid distance of 3.712\u2005(7)\u2005\u00c5.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811005691/cv5049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N\u2014Si\u2014N angle is 113.9\u2005(3)\u00b0. The crystal packing exhibits no short inter\u00admolecular contacts.In the title iron(II) complex, [Fe(C II complexes with N-donor ligand and utility in fixation of dinitro\u00adgen, see: Smith et al. Cl(C6H16N2)] = 0.060wR(F2) = 0.190S = 1.024222 reflections226 parameters14 restraintsH-atom parameters constrainedmax = 0.71 e \u00c5\u22123\u0394\u03c1min = \u22120.65 e \u00c5\u22123\u0394\u03c1SMART used to solve structure: SHELXS97 I, global. DOI: Click here for additional data file.10.1107/S1600536812044741/cv5351Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810025225/hb5520Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These two Zn atoms exhibit different coordination environments: a distorted coordination intermediate between trigonal\u2013pyramidal, and square\u2013pyramidal formed by the two coordinated dimethyl\u00adformamide mol\u00adecules and three carboxylate groups, and a distorted tetra\u00adhedral coordination defined by carboxy\u00adlate groups of which three are bidentate bridging and the fourth is a monodentate ligand. Thus, each ligand connects four MBBs, forming the three-dimensional polymer.In the crystal structure of the title coordination polymer, {[Zn DOI: 10.1107/S1600536811037056/kp2331Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is in a distorted octa\u00adhedral coordination geometry defined by four O atoms derived from four bridging acetate ligands, a terminally connected pyrimidine N atom and a Cu atom.The complete dinuclear mol\u00adecule of the title complex, [Cu N-donor)copper] complexes, see: Fairuz et al. (2010a b For structures of related examples of tetra\u00adkis\u00adacetato\u00adbis\u00ad[(2(C2H3O2)4(C10H8N2O)2] = 0.056 wR(F 2) = 0.175 S = 1.08 2581 reflections201 parametersH-atom parameters constrainedmax = 1.83 e \u00c5\u22123 \u0394\u03c1min = \u22120.55 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811044345/hg5123Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, inter\u00admolecular I\u22efN inter\u00adactions [3.099\u2005(4)\u2005\u00c5] link hydrogen-bonded aggregates of the hydrozone and solvent molecules related by translation along the b axis into chains. An intramolecular O\u2014H\u22efN hydrogen bond forms an S(6) ring.In the hydrazone molecule of the title compound, C DOI: 10.1107/S1600536811020770/cv5102Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811020770/cv5102Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial plane is defined by two chelating chloro\u00adacetate ligands with asymmetrical Sn\u2014O bond lengths, while the axial positions are occupied by the C atoms of two 2-fluoro\u00adbenzyl groups. In the crystal, infinite chains in the [010] direction are formed through inter\u00admolecular Sn\u22efO inter\u00adactions [Sn\u22efO separation = 3.682\u2005(3)\u2005\u00c5].In the title complex, [Sn(C DOI: 10.1107/S1600536811051002/bh2395Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ho+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square anti-prismatic fashion by eight O atoms from bridging pyrazine N,N\u2032-dioxide ligands. There are two unique pyrazine N,N\u2032-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) (110) and inter\u00adact with the coordination network through C\u2014H\u22efO hydrogen bonds.The title three-dimensional coordination network, {[Ho(C DOI: 10.1107/S1600536810031831/zl2300Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tris\u00ad(N-methyl\u00adbenzimidazol-2-ylmeth\u00adyl)amine ligand is in a tetra\u00addentate mode while a coordinated water molecule and a dimethyl\u00adformamide ligand complete the coordination. In the crystal structure, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the cation and one of the pictrate anions into four-component centrosymmetric clusters.In the title complex, [Ni(C DOI: 10.1107/S1600536810029181/lh5085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure exhibits disorder in one of the ethyl chains, which was refined using a two-site model with 0.70\u2005(6):0.30\u2005(6) occupancy.In the title complex, [Co(NCS) DOI: 10.1107/S1600536812021988/ez2290Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efS and N\u2014H\u22efF inter\u00admolecular hydrogen bonds link the mol\u00adecules into infinite sheets that are stacked along the c axis.In the title compound, C DOI: 10.1107/S1600536810020246/pb2028Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tetra\u00adnuclear mol\u00adecule features a three-rung-staircase Sn4O4 core in which two independent SnIV atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance compared with the neutral N atom that binds to the central Sn atom[Sncis-C3SnNO trigonal\u2013bipyramidal environment, whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trapezoidal\u2013bipyramidal geometry.The asymmetric unit of the title distannoxane, [Sn DOI: 10.1107/S1600536811001917/xu5142Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A distorted tetra\u00adhedral geometry is formed around each HgII ion. The crystal packing is stabilized by intra- and inter\u00admolecular N\u2014H\u22efCl hydrogen bonding. There are also \u03c0\u2013\u03c0 stacking inter\u00adactions in the structure, with centroid-to-centroid distances of 3.594\u2005(6)\u2005\u00c5.In the centrosymmetric dinuclear title compound, [Hg DOI: 10.1107/S1600536812039803/bt6826Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "I compound, [Cu2Br2(C12H10N2)]n, the Cu cation is coordinated by an N atom from the 1,2-bis\u00ad(4-pyrid\u00adyl)ethene ligand and three Br\u2212 anions in a distorted tetra\u00adhedral CuBr3N coordination geometry. Each Br\u2212 anion bridges three Cu cations related by inversion centers, forming a stair-like polymeric chain along the a axis, and the terminal N atoms of the 1,2-bis\u00ad(4-pyrid\u00adyl)ethene ligand, located across an inversion center, coordinate the Cu cations from neighboring chains, forming polymeric sheets.In the title polymeric Cu DOI: 10.1107/S1600536810030734/xu5009Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the mean planes of the two bipyridine ligands is 87.67\u2005(6)\u00b0.In the title compound, [Cd(C DOI: Click here for additional data file.10.1107/S1600536812044108/lh5540Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The three Na+ cations are located in the voids of the framework. One of the cations is situated on a general position, one is equally disordered around a twofold rotation axis and one is on a fourfold rotoinversion axis. The isolated PO4 tetra\u00adhedron of the anionic framework is also situated on the -4 axis. Structural relationships between the title compound and different diphosphates containing MP2O11 units are discussed.The title compound, hepta\u00adsodium tetra\u00adchromium(III) tetra\u00adkis\u00ad(diphosphate) orthophosphate, was synthesized by solid-state reaction. Its structure is isotypic with that of Na DOI: Click here for additional data file.10.1107/S1600536813008726/wm2734Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is influenced by cation-to-anion N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds. The [ZnCl4]2\u2212 anions have a distorded tetra\u00adhedral geometry. Inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions are present between neighboring benzene rings, thia\u00adzole and benzene rings and neighboring thia\u00adzole rings .The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811015753/vn2006Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex cations adopt slightly distorted octa\u00adhedral coordination environments around the CrIII ion, defined by four pyridine (py) N atoms in the equatorial plane and two F\u2212 ligands in the axial positions; intra\u00admolecular C\u2014H\u22efF contacts are noted. The mean Cr\u2014N(py) and Cr\u2014F bond lengths are 2.088\u2005(6) and 1.8559\u2005(10)\u2005\u00c5, respectively. The three-dimensional architecture is sustained by hydrogen bonds involving the pyridine C\u2014H groups as donors, and F and O atoms as acceptors.The are two independent complex cations in the title salt, [CrF DOI: 10.1107/S1600536813023052/tk5248Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecule contains two fused six-membered rings both in chair conformations. In the crystal, mol\u00adecules are linked into chains running parallel to the a axis by O\u2014H\u22efO hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811053712/bt5751Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811053712/bt5751Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation adopts a tetra\u00adhedral geometry. In the crystal, the cations and the anions are connected by C\u2014H\u22efCl hydrogen bonds, leading to an infinite chain propagating along the c direction.The crystal structure of the title salt, (C DOI: Click here for additional data file.10.1107/S1600536812049689/pk2448Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carboxyl\u00adate group of one aminobenzoate anion coordinates to the ZnII cation in a monodentate manner, whereas the carboxyl\u00adate group of the other amino\u00adbenzoate anion chelates the Zn cation with different Zn\u2014O bond lengths. Inter\u00admolecular N\u2014H\u22efN and N\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title complex, [Zn(C DOI: 10.1107/S1600536811039389/xu5334Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine rings is 6.3\u2005(2)\u00b0. The N\u2014C\u2014C\u2014N torsion angle is 177.5\u2005(2)\u00b0. In the dianion, the CrVI ions are in a slightly distorted tetra\u00adhedral coordination environment and the bond angles at the independent CrVI ions are in the ranges 105.93\u2005(10)\u2013110.60\u2005(11) and 107.35\u2005(11)\u2013111.07\u2005(12)\u00b0. The Cr\u2014O\u2014Cr angle is 127.96\u2005(12)\u00b0. The crystal used was an inversion twin with refined components of 0.510\u2005(19) and 0.490\u2005(19).In the cation of the title salt, (C DOI: 10.1107/S1600536812005430/lh5410Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cation is a W-shaped entity with the aromatic rings at the ends; the ammonium NH2 + group is a hydrogen-bond donor to the pyridyl N atoms. The perchlorate ion has one O atom disordered over two sites in a 0.50:0.50 ratio.The cation and anion of the title salt, C DOI: 10.1107/S1600536810032216/bh2303Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits no classical inter\u00admolecular contacts.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536810048981/cv5005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 3,5-dinitropyridin-4-oxido N-oxide ligand is formally a zwitterionic anion; the anion binds to the metal atom through the N-oxide O atom. The chains are connected into a three-dimensional network by O\u2014H\u22efO hydrogen bonds involving the coordinated and uncoordinated water mol\u00adecules.In the title coordination polymer, {[Nd(C DOI: 10.1107/S1600536810041139/xu5029Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "E)-2-({2-[4-(dimethyl\u00adamino)\u00adbenzo\u00adyl]hydrazinyl\u00adidene}meth\u00adyl)phenolato]bis\u00ad[formato\u00adzinc], [Zn2(C16H16N3O2)2(CHO2)2], is a dinuclear ZnII complex containing two ZnII cations, two monovalent anions of a Schiff base ligand, 4-dimethyl\u00adamino-N\u2032-(2-hy\u00addroxy\u00adbenzyl\u00adidene)benzohydrazide (L), and two formate ions. Each ZnII atom chelates with the hy\u00addroxy O atom of salicyl\u00adaldehyde, the imine N atom, the carbonyl O atom, the formate carboxyl\u00adate O atom and the hy\u00addroxy O atom of the salicyl\u00adaldehyde moiety in a symmetry-related unit. The five-coordinate ZnII atoms form a dimeric centrosymmetric unit with a central parallelepiped Zn2O2 core and parallel faces derived from the Schiff base ligands. The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO hydrogen bonds between the amide N atom and the formate carboxyl\u00adate O atom.The title compound, bis\u00ad[\u03bc-( DOI: 10.1107/S1600536811014462/jj2088Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811014462/jj2088Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the complex mol\u00adecules and the trifluoro\u00adacetate anions are connected via O\u2014H\u22efO hydrogen bonding into layers parallel to the ab plane.In the crystal structure of the title complex, [Ni(C For related complexes, see: Ito & Onaka 2004; Kermago6H7NO)3](PF6)(C2F3O2) = 0.033 wR(F 2) = 0.088 S = 1.05 5736 reflections376 parameters9 restraintsH-atom parameters constrainedmax = 0.50 e \u00c5\u22123 \u0394\u03c1min = \u22120.45 e \u00c5\u22123 \u0394\u03c1 RAPID-AUTO used to solve structure: SIR2004 I, global. DOI: 10.1107/S160053681104431X/nc2249Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion is coordinated by two N atoms and two O atoms from the bis-Schiff base ligand in a slightly distorted square-planar geometry. The dihedral angle between the two benzene rings is 45.89\u2005(9)\u00b0. The crystal structure is devoid of any classical hydrogen bonds. However, inter\u00admolecular C\u2014H\u22efO inter\u00adactions are present and stabilize the structure.In the title compound, [Cu(C DOI: 10.1107/S1600536810022889/pv2290Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Z. Anor DOI: 10.1107/S1600536812027857/wm2643Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Zn cation, located on an inversion center, is N,O-chelated by two pyrazine-2,3-dicarboxyl\u00adate (pyzdc) anions in the basal plane, and is further coordinated by two carboxyl\u00adate O atoms from adjacent pyzdc anions in the axial directions with a longer Zn\u2014O bond distance, forming a distorted ZnN2O4 coordination geometry. The pyzdc anions bridge the Zn cations, forming polymeric chains running along the crystallographic b axis. The acridinium cations are linked to the complex chains via N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding. Significant \u03c0\u2013\u03c0 stacking between parallel acridinium ring systems is observed in the crystal structure, face-to-face distances being 3.311\u2005(3) and 3.267\u2005(4)\u2005\u00c5.The crystal structure of the title compound, {(C DOI: 10.1107/S1600536810025195/xu2784Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The triazolide ligand is nearly planar: the central triazole ring is oriented at dihedral angles of 4.63\u2005(13) and 8.41\u2005(13)\u00b0 with respect to the pyrazine and pyridine rings. Inter\u00admolecular O\u2014H\u22efN hydrogen bonds link the mol\u00adecules into a two-dimensional supra\u00admolecular network parallel to (001).In the title compound, [Cd(C DOI: 10.1107/S1600536811045545/xu5363Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two pyridine rings form a dihedral angle of 84.63\u2005(7)\u00b0. The two benzene rings in L are twisted at 58.83\u2005(5)\u00b0. Weak inter\u00admolecular C\u2014H\u22efF hydrogen bonds consolidate the crystal packing.In the title compound, [Co(C DOI: 10.1107/S1600536811043157/cv5178Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811031199/tk2775Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811031199/tk2775Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810024773/ng2792Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom is surrounded by two chelating isobidentate dithio\u00adphospho\u00adnate ligands in a trans or anti configuration, binding through the S-donor atoms.The title compound, [Ni(C II\u2013dithiophosphonate complex, see: Hartung 2] = 0.019wR(F2) = 0.053S = 1.093446 reflections153 parametersH-atom parameters constrainedmax = 0.35 e \u00c5\u22123\u0394\u03c1min = \u22120.39 e \u00c5\u22123\u0394\u03c1APEX2 I, global. DOI: Click here for additional data file.10.1107/S1600536812047368/fj2606Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each [MnCl4]2\u2212 anion is connected to the 1-cyano\u00admethyl-1,4-diazo\u00adniabicyclo\u00ad[2.2.2]octane dications by N\u2014H\u22efCl hydrogen bonds, forming chains parallel to [001].In the crystal structure of the title compound, (C DOI: 10.1107/S160053681004047X/im2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal under investigation was twinned by pseudo-merohedry with a twofold rotation around the c axis as an additional twinning operation. The crystal structure is built of layers of distorted edge- and corner-sharing CeF8 square-anti\u00adprisms. The Cs+ cations are located between the layers and exhibit coordination numbers of nine. Upon compression, CsCeF5 undergoes an irreversible phase transition at about 1\u2005GPa.Single-crystals of CsCeF DOI: 10.1107/S1600536814003286/fj2660Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the crystal, anions and cations are inter\u00adconnected by N\u2014H\u22efBr hydrogen bonds, forming ribbons parallel to [0-11].The structure of the title salt, (C DOI: 10.1107/S1600536812011117/bh2418Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "I/CuII coordination polymer, [Cu2Cl3(C20H14N4)]n, the two Cu atoms are bridged to a pair of Cl atoms across a centre of inversion. The monovalent metal atoms is coordinated by a pyridine N atom as well as by three Cl atoms in a tetra\u00adhedral CuNCl3 geometry. The divalent metal atom is N,N\u2032,N\u2032\u2032-chelated by the heterocycle, and it exists in a square-pyramidal CuN3Cl2 geometry; the apical site is occupied by the second bridging Cl atom. The bridging modes of the Cl atoms and the heterocycle give rise to the formation of a layered arrangement parallel to (001).In the mixed-valence Cu DOI: 10.1107/S1600536811014759/ng5143Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag+ cation adopts a considerably distorted a tetra\u00adhedral coordination. In the crystal, adjacent binuclear mol\u00adecules are connected into a layer motif through the amino group of the anion; the layers are perpendicular to the a axis.In the title 1:1 silver 4-amino\u00adbenzene\u00adsulfonate adduct with triphenyl\u00adphosphine, [Ag(C DOI: 10.1107/S1600536810024207/su2190Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are observed in the DHB ligands.In the mononuclear title complex, [Nd(C DOI: 10.1107/S1600536810042583/hy2364Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "S,6S,2R)-9,13-dimeth\u00adyl-5-methyl\u00adene-3-oxatricyclo\u00adtrideca-9,12-diene-4,11-dione], C15H16O3, is a guanolide isolated from Artemisia douglasiana. The fused-ring system contains a seven-membered ring that adopts a chair conformation, a fused planar cyclo\u00adpentenone ring and a five-membered lactone ring fused in envelope conformation. The absolute structure determined by X-ray analysis agrees with that previously assigned to this compound by NMR studies and also with that of leucodine, a closely related guaianolide .Dehydro\u00adleucodin [systematic name: (1dero 1972. Tetra\u00adh al. 1988. J. Nat. DOI: 10.1107/S1600536811048938/bg2432Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048938/bg2432Isup3.mol Supplementary material file. DOI: 10.1107/S1600536811048938/bg2432Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cr atom and two carbonyl groups are on a twofold axis. The benzene rings attached to the phospho\u00adrus atom make dihedral angles of 80.32\u2005(5), 52.91\u2005(5) and 83.80\u2005(5)\u00b0 with each other. In the crystal, C\u2014H\u22efO and C\u2014H\u22efF inter\u00admolecular inter\u00adactions form an infinite three-dimensional network.In the title compound, [Cr(C DOI: 10.1107/S1600536811033939/ng5213Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial positions are occupied by four N atoms from four diniconazole ligands. The axial sites are occupied by two Cl\u2212 anions. In the two independent organic ligands, the triazole ring is oriented at dihedral angles of 18.28\u2005(14) and 32.15\u2005(14)\u00b0 with respect to the dichloro\u00adphenyl ring. Inter\u00admolecular O\u2014H\u22efCl hydrogen bonds consolidate the crystal packing.In the crystal structure of the title compound, [CoCl DOI: 10.1107/S1600536811031291/xu5277Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two water mol\u00adecules act as bridging ligands, resulting in the formation of dimeric units organized around inversion centers. In the organic anion, the pyridine and tetra\u00adzole rings are nearly coplanar, forming a dihedral angle of 4.62\u2005(1)\u00b0. The dimeric units and organic anions are connected by O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Na DOI: 10.1107/S1600536810052566/dn2636Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions bridge adjacent HoIII ions into double chains. Adjacent chains are further connected into sheets. O\u2014H\u22efO hydrogen bonds involving both coordinated and uncoordinated water mol\u00adecules generate a three-dimensional supra\u00admolecular framework.In the title coordination polymer, {[Ho(C DOI: 10.1107/S1600536811016953/sj5136Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The BF4 \u2212 anion is coordinated to three different Li+ cations though three F atoms. The structure can be described as being built from vertex-shared BF4 and LiF3(NCCH3) tetra\u00adhedra. These tetra\u00adhedra reside around a crystallographic inversion center and form 8-membered rings.The structure of the title compound, [Li(BF DOI: 10.1107/S1600536811012141/fj2410Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The F atoms of L are disordered over two positions related by a 180\u00b0 rotation of the fluoro\u00adphenyl group around its external C\u2014N bond.The structure of the title compound, [Ni(C DOI: Click here for additional data file.10.1107/S1600536812045576/br2213Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII ion is in a distorted square-pyramid coordination environment formed by the bichelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Cu\u2014Cl bonds is significantly longer than the other.The binuclear title complex, [Cu DOI: 10.1107/S1600536811032053/kj2183Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Fe atom is slightly closer to the substituted cyclo\u00adpenta\u00addienyl ring, with an Fe\u22efcentroid distance of 1.639\u2005(2)\u2005\u00c5, compared with 1.645\u2005(2)\u2005\u00c5 for the unsubstituted ring. The C=N double bond is essentially coplanar with the substituted cyclo\u00adpenta\u00addienyl ring with a deviation of 10.3\u2005(1)\u00b0. The angle formed by the C=N double bond and the naphthal\u00adene ring system is 47.1\u2005(1)\u00b0. The C\u2014N=C\u2014C torsion angle is 177.32\u2005(5)\u00b0.In the title mol\u00adecule, [Fe(C DOI: 10.1107/S1600536808026330/lh2673Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the SrII ions are connected by two crystallographically distinct benzene-1,2-dicarboxyl\u00adate ligands and one formate ligand, forming a two-dimensional polymer parallel to (001). The asymmetric unit of the title complex, [Sr DOI: 10.1107/S1600536811044977/lh5360Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal consists of a pair of enanti\u00adomers (\u0394 and \u039b) of the compound. The \u0394 and \u039b isomers have the \u03bb and \u03b4 conformations for the aet chelate rings and the \u03b4 and \u03bb conformations for the dppe chelate rings. The F atoms of the PF6\u2212 counter-anion are disordered over three positions, with site occupancies of 0.4, 0.3 and 0.3.In the crystal of the title compound, [Ru(C DOI: Click here for additional data file.10.1107/S1600536812044273/gk2528Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CH3 group trans to the I atom has a slightly elongated bond to Pt compared to the other CH3 groups, indicating a difference in trans influence between iodine and the bipyridine ligand.In the title compound, [Pt(CH DOI: 10.1107/S1600536811014085/lr2005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PbII atom is in a \u03a8-square-anti\u00adprismaic coordination.In the centrosymmetric binuclear title compound, [Pb DOI: 10.1107/S1600536810032125/ci5151Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the title complex, [Ni(C DOI: 10.1107/S1600536812024749/ru2036Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular C\u2014H\u22efF and C\u2014H\u22efO hydrogen bonds.In the title compound, [Co(CH DOI: 10.1107/S1600536812035222/hy2569Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure consists of chains of Ca2+ and Sn4+ cations in octa\u00adhedral sites with -3 symmetry bridged by bidentate hypophosphite anions. The chains are hexa\u00adgonally close packed along [001]. The discovery of the compound and the successful structure refinement provides strong evidence that an isostructural compound, originally described as the mixed-valence compound, Ge2[H2PO2]6 [Weakley 6].The title compound, Ca[Sn(Hkley 1983. J. Chem DOI: 10.1107/S1600536813018205/cq2005Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Pt\u2014P bond lengths are 2.2489\u2005(9) and 2.2627\u2005(9)\u2005\u00c5, whereas the Pt\u2014Cl bond lengths are 2.3566\u2005(9) and 2.3336\u2005(9)\u2005\u00c5. The title compound, [PtCl DOI: 10.1107/S1600536811043789/kp2359Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn\u22efZn separation is 2.9750\u2005(6)\u2005\u00c5. The complex dimers are extended into a two-dimensional polymeric structure parallel to (100) through bridges provided by the second carboxyl\u00adate group of the ligand.In the title complex, [Zn DOI: 10.1107/S1600536811013092/zs2089Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C6H5)3Cl(C13H12OS)], is situated within a distorted C3ClO trigonal\u2013bipyramidal coordination geometry with a mean Sn\u2014C distance of 2.136\u2005(6)\u2005\u00c5 and with an Sn\u2014O distance of 2.393\u2005(4)\u2005\u00c5. The SnIV atom lies 0.171\u2005(3)\u2005\u00c5 out of the equatorial C3 plane in the direction of the axially bound Cl atom.The Sn For rel al. 2009; Kumar e al. 2009; Filguei al. 1982; Dokorou al. 2011.6H5)3Cl(C13H12OS)] = 0.037wR(F2) = 0.067S = 1.023463 reflections306 parametersH-atom parameters constrainedmax = 0.37 e \u00c5\u22123\u0394\u03c1min = \u22120.40 e \u00c5\u22123\u0394\u03c1Absolute structure: Flack 1983, 626 FriFlack parameter: 0.02 (3)XSCANS used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812005910/tk5048Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carboxylate groups of the DNBA anions exhibit three coordination modes: bidentate chelating, bidentate chelating\u2013bridging and tridentate chelating\u2013bridging. The center of the mol\u00adecule is located on a crystallographic center of inversion.In the binuclear title complex, [Dy DOI: 10.1107/S1600536810052001/im2251Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoIII ions are six-coordinate with acetyl\u00adide and chloride ligands bound to the axial sites and the N atoms from the cyclam rings coordinated at the equatorial positions. N\u2014H\u22efO and N\u2014H\u22efCl hydrogen-bonding interactions help to consolidate the crystal packing.In the title compound, CoCl2]Cl, see: Bosnich et al. Cl2(C10H24N4)2]0.88[Co2(C10H3Br)Cl2(C10H24N4)2]0.12\u00b7(C24H20B)2\u00b74C3H6O = 0.037 wR(F 2) = 0.097 S = 1.02 25801 reflections1001 parametersH-atom parameters constrainedmax = 0.52 e \u00c5\u22123 \u0394\u03c1min = \u22120.42 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536811019969/qm2008Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811019969/qm2008Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distance = 3.5419\u2005(19)\u2005\u00c5] result in the formation of a supra\u00admolecular structure.In the anion of the title compound, (C DOI: 10.1107/S160053681202853X/hy2560Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd\u2014S,N bonds and one weak intra\u00adlayer N\u2014H\u22efS hydrogen bond.The structure of the title polymeric compound, [Cd(SCN) DOI: 10.1107/S1600536813031255/vn2078Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031255/vn2078Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each Li atom in the cube is additionally coordinated by a diethyl ether mol\u00adecule and each O atom in the cube carries a 9-oxa-10-boraanthracene residue. The crystal studied was a non-merohedral twin emulating apparent tetra\u00adgonal symmetry, whereas the actual crystal system is just ortho\u00adrhom\u00adbic.The title compound, [Li DOI: 10.1107/S1600536811041201/bg2423Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Na+ ion is eight-coordinated by four ligand O atoms and four nitrate O atoms. The ligand links the CuII and Na ions, forming a layered arrangement extending parallel to (001). In the title heterodinuclear complex, [CuNa(C DOI: 10.1107/S1600536811040025/ng5236Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the aromatic rings of pyridine-2,5-dicarb\u00adoxy\u00adlate with centroid\u2013centroid distances of 3.6166\u2005(13)\u2005\u00c5.In the polymeric title compound, [Ca(C DOI: 10.1107/S1600536810054334/bt5441Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "\u00c5 between pairs of inversion-related mol\u00adecules.The title compound, [Mn(C al. 2006. Inorg. DOI: 10.1107/S1600536810048270/lh5164Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III atom in the title compound, {[La(C5H4N3O2)(C2O4)(H2O)2]\u00b7H2O}n, is N,O-chelated by a 3-amino\u00adpyrazine-2-carboxyl\u00adate ion; this ion links adjacent metal atoms to form a chain parallel to [010]. The oxalate ion serves as a bis-bidentate chelate that links adjacent metal atoms to form a chain parallel to [001]. The two bridging ions give rise to a layer motif parallel to (100) in which the LaIII atom exists in a distorted tricapped trigonal prismatic geometry. Extensive hydrogen bonding between the constituents stabilizes the structure.The water-coordinated La DOI: 10.1107/S1600536811034404/qk2018Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the benzene rings is 34.67\u2005(8)\u00b0 and the angle between the benene ring and the adjacent benzimidazole ring system is 43.26\u2005(10)\u00b0. The bridging ligand links the CoII atoms into chains propagating in [In the title compound, [CoCl DOI: 10.1107/S1600536811010671/hb5820Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand links the metal atoms linto a linear chain running along the a axis. One of the nitrate O atoms is equally disordered over two sets of sites.In the title compound, [Cu(NO DOI: 10.1107/S1600536811016096/ng5152Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C\u2014C\u2014N bond angle of the bridging CH2 group is 112.14\u2005(16)\u00b0. In the crystal, mol\u00adecules are linked via N\u2014H\u22efN hydrogen bonds, forming infinite chains parallel to [101] and [10In the title compound, C DOI: 10.1107/S1600536811026602/qk2008Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026602/qk2008Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing does not involve any significant inter\u00admolecular inter\u00adactions, although the benzene rings are involved in a number of weak intra- and inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Sn(C DOI: 10.1107/S1600536810039851/fj2342Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak cation-to-anion C\u2014H\u22efCl inter\u00adactions generate a three-dimensional network.In the crystal structure of the title mol\u00adecular salt, (C DOI: 10.1107/S1600536811048823/hb6492Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The piperazine-1,4-dicarbodithio\u00adate linker has an almost ideal chair conformation. The geometry about the gold atoms is severely distorted tetra\u00adhedral punctuated by a very acute S\u2014Au\u2014S bite angle.In the title compound, [Au DOI: 10.1107/S1600536811044229/ng5253Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 6-quinoline\u00adcarboxyl\u00adate anion bridges three Ag+ cations, forming a nearly planar polymeric sheet parallel to (101). The distance between Ag+ cations bridged by the carboxyl group is 2.9200\u2005(5)\u2005\u00c5. In the crystal, \u03c0\u2013\u03c0 stacking is observed between parallel quinoline ring systems, the centroid\u2013centroid distance being 3.7735\u2005(16)\u2005\u00c5.In the title coordination polymer, [Ag(C DOI: 10.1107/S1600536812023835/xu5546Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Its structure is isotypic with the MnII, FeII, CoII, NiII, CuII and ZnII analogues. The MgII cation has a slightly distorted octa\u00adhedral geometry containing four N atoms from two 1,10-phenanthroline mol\u00adecules and two N atoms from two thio\u00adcyanate anions. The asymmetric unit contains one-half mol\u00adecule, and the complete complex has 2 symmetry.The title compound, [Mg(NCS) DOI: 10.1107/S1600536810027054/bh2298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions are observed in the crystal structure.In the title compound, [Cd(C DOI: 10.1107/S1600536812038433/hy2583Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812038433/hy2583Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit contains two half-mol\u00adecules in both of which the PdII atom lies on a centre of symmetry. The average distances between the PdII atom and the coordinated O and N atoms are 1.9831\u2005(12) and 2.012\u2005(2)\u2005\u00c5, respectively.In the title complex, [Pd(C DOI: 10.1107/S1600536811049555/rk2317Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Substitution of an O atom with a methyl-functionalized N atom does not significantly alter the bond distances and angles in the copper(II) complex when compared with a similar bis\u00ad(troponato)copper(II) complex. \u03c0\u2013\u03c0 stacking is observed between the tropolone rings, with inter\u00adplanar distances of 3.5039\u2005(16) and 3.2933\u2005(15)\u2005\u00c5, respectively. Additional stabilisation of the structure is accomplished through C\u2014H\u22efO hydrogen-bonding interactions. In the title compound, [Cu(C DOI: 10.1107/S1600536810043503/pk2271Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III atom of the title compound, [Ir(C11H8N)2Cl(CH3CN)], displays a distorted octa\u00adhedral coordination. The pyridyl groups are in trans positions [N\u2014Ir\u2014N = 173.07\u2005(10)\u00b0], while the phenyl groups are trans with respect to the acetonitrile and chloride groups [C\u2014Ir\u2014N = 178.13\u2005(11) and C\u2014Ir\u2014Cl = 176.22\u2005(9)\u00b0]. The pyridyl\u00adphenyl groups only show a small deviation from planarity, with the dihedral angle between the planes of the two six-membered rings in each pyridyl\u00adphenyl group being 5.6\u2005(2) and 5.8\u2005(1)\u00b0. The crystal packing shows inter\u00admolecular C\u2014H\u22efCl, C\u2014H\u22ef\u03c0(acetonitrile) and C\u2014H\u22ef\u03c0(pyridyl\u00adphen\u00adyl) contacts.The Ir DOI: 10.1107/S1600536811049373/tk5023Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles made by the planes defined by the aromatic ring carbons of the 4-methyl\u00adbenzene and 2,4-dimethyl\u00adbenzene fragments with the plane defined by the chelate ring are 13.43\u2005(15) and 82.69\u2005(13)\u00b0 respectively. The angle between the planes defined by the aromatic carbons of the two rings is 89.40\u2005(16)\u00b0. A a weak intra\u00admolecular C\u2014H\u22efN hydrogen bond occurs.In the centrosymmetric mononuclear title complex, [Cu(C DOI: 10.1107/S1600536812025081/qm2070Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Mn\u2014O distances range from 2.151\u2005(2) to 2.5093\u2005(19)\u2005\u00c5, while the Mn\u2014N distances are 2.226\u2005(2) and 2.248\u2005(2)\u2005\u00c5. Each 5-ferrocenyl\u00adbenzene-1,5-dicarboxyl\u00adate anion links to two MnII ions, resulting in a chain along the b axis. A three-dimensional network of N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds helps to stabilize the crystal packing.In the title coordination polymer, {[FeMn(C DOI: 10.1107/S1600536811022781/fj2428Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efN hydrogen bonds link the complex mol\u00adecules into a two-dimensional network parallel to (010).In the title compound, [Ni(C DOI: 10.1107/S1600536811016643/hy2427Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, the mol\u00adecules are linked via weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds [3.334\u2005(5)\u2005\u00c5] and there are also short inversion-related intermolecular Br\u22efBr contacts [3.4263\u2005(6)\u2005\u00c5]In the title complex, [Co(C DOI: 10.1107/S1600536810032162/zs2053Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is an offset inter-complex face-to-face \u03c0\u2013\u03c0 inter\u00adaction [centroid\u2013centroid distance = 3.718\u2005(2)\u2005\u00c5] involving one of the pyridine rings of the ligand as well as an intra-complex O\u2014H\u22efO hydrogen-bonding inter\u00adaction between the coordinated hydroxyl group of the ligand and the perchlorate counter-ion.In the title compound, [Cu(ClO DOI: 10.1107/S1600536810053985/zs2085Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron around the central CoII ion is about halfway between square-pyramidal and trigonal-bipyramidal geometry. In the structure, the nitrate counter-anion is connected by N\u2014H\u22efO hydrogen bonding to the complex cation. Additionally, the complex cations form one-dimensional chains along [010] by hydrogen bonding of the NH group of an imidazole ring to the picolinate group of a neighbouring complex cation.Single crystals of the title compound, [Co(C DOI: 10.1107/S1600536812004485/nc2266Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004485/nc2266Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The nuclei are 3.1414\u2005(2)\u2005\u00c5 apart. The mol\u00adecule exhibits a twofold symmetry axis. Stacks of the compound are formed through inter\u00admolecular C\u2014H\u22efCl inter\u00adactions, while the tetra\u00adhydro\u00adfuran (THF) solvate is further attached to the stacks through weak C\u2014H\u22efO hydrogen bonding from the THF O atom to two separate H atoms on the complex.The title compound, [Au DOI: 10.1107/S1600536811038499/bh2379Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions and short inter\u00admolecular I\u22efO contacts [3.142\u2005(2)\u2005\u00c5] are observed.In the title compound, C DOI: 10.1107/S1600536810033581/nc2194Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is the first example of \u03b2-diketonate in a dianionic \u03ba2 C-coordination complex containing a PdII\u2014PdII bond. Both PdII atoms adopt a pseudo square-planar coordination geometry. The mol\u00adecular packing involves \u03c0-inter\u00adactions between the phenyl rings of the 1,3-diphenyl\u00adpropane-1,3-dionato ligands with centroid\u2013centroid distances in the range 3.823\u2005(2)\u20133.868\u2005(2)\u2005\u00c5.The title compound, [Pd DOI: 10.1107/S1600536811017144/ff2010Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "Both Sn atoms show a distorted cis-trigonal\u2013bipyramidal coordination geometry that is distorted towards a square pyramid. In the crystal, weak C\u2014H\u22ef\u03c0 inter\u00adactions occur between anions and cations.In the title salt, [C DOI: 10.1107/S1600536811021295/xu5234Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mg atom is in a considerably distorted Br2CO coordination. Bond lengths and angles are comparable with already published values. The crystal packing is stabilized by C\u2014H\u22ef\u03c0 inter\u00adactions linking the complexes into sheets parallel to (0-11). The crystal structure of the title compound, [Mg DOI: 10.1107/S1600536813017108/ng5334Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The NiII atoms are six-coordinated by two O atoms of two monodentate carboxyl\u00adate anions and four N atoms from bipyridine ligands and are connected into layers by the 4,4\u2032-bipyridine ligands.The crystal structure of the title complex, [Ni(C DOI: 10.1107/S1600536810050117/jh2232Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII ions are coordinated by two terminal ethyl (Et) groups and four maltolate ligands, which act as \u03bc3- and \u03bc2-bridges. The metal atoms are arranged in an incomplete cubane Zn3O4 core structure, derived from one EtZnO3 tetra\u00adhedron, one EtZnO4 bipyramid and one ZnO6 octa\u00adhedron, sharing common corners. The structure is stabilized by weak C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.The title compound, [Zn DOI: Click here for additional data file.10.1107/S1600536813010064/aa2088Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010064/aa2088Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efN hydrogen bonds result in a supra\u00admolecular layer parallel to (101). These layers are connected by \u03c0\u2013\u03c0 inter\u00adactions between the benzene rings [centroid\u2013centroid distance = 3.891\u2005(2)\u2005\u00c5].In the title complex, [Cu(NO DOI: 10.1107/S160053681103529X/hy2463Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI ion is four-coordinated in a distorted tetra\u00adhedral configuration by two N atoms from L and two P atoms from triphenyl\u00adphosphane ligands. In the L ligand, the two pyridine rings are not coplanar; the mean planes making a dihedral angle of 15.3\u2005(5)\u00b0. In the crystal, the ions are linked by weak C\u2014H\u22efF inter\u00adactions.The title compound, [Cu(C I complexes, see: Wang et al. (C18H15P)2]BF4 = 0.056 wR(F 2) = 0.142 S = 0.95 6547 reflections568 parameters2 restraintsH-atom parameters constrainedmax = 0.47 e \u00c5\u22123 \u0394\u03c1min = \u22120.42 e \u00c5\u22123 \u0394\u03c1Absolute structure: Flack 1983, 1482 FrFlack parameter: 0.010 (13) SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811029515/zq2111Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The TbIII ion adopts a doubly-capped square-anti\u00adprismatic coord\u00adination environment defined by three chelating nitrate anions and two N,O-bidentate nitronyl nitroxide radical ligands. Weak C\u2014H\u22efO hydrogen bonds connect the molecules into a three-dimensional framework. The title structure is isotypic with the Ho analogue .The title compound, [Tb(NO [Li 2012. Acta Cr DOI: Click here for additional data file.10.1107/S1600536812040287/mw2078Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging ligands link metal centres, forming a three-dimensional network which is stabilized by inter\u00admolecular O\u2014H\u22efN hydrogen-bonding inter\u00adactions.In the title polymeric complex, [Cd(C DOI: 10.1107/S1600536810027406/rz2474Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII cation is coordinated by two Cl\u2212 anions and two pyrazine-2-carboxamide ligands in a distorted ZnCl2N2 tetra\u00adhedral geometry. The two pyrazine rings are nearly perpendicular to each other [dihedral angle = 86.61\u2005(10)\u00b0]. Inter\u00admolecular N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds and weak C\u2014H\u22efO inter\u00adactions stabilize the crystal packing.In the crystal of the title compound, [ZnCl DOI: 10.1107/S1600536812013888/xu5500Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two carbene C atoms of the N-heterocyclic carbene (NHC) ligands are bonded tightly forming a slightly bent [Ag(NHC)2]+ cation [C\u2014Ag\u2014C angle = 162.80\u2005(18)\u00b0]. Three of these complex cations are further aggregated by one bridging chloride anion, which is lying on a threefold rotoinversion axis and is only loosely binding to the Ag+ ions. The N atom of the amine group is not engaged in any coordinative bond.In the crystal structure of the title compound, [Ag DOI: 10.1107/S1600536812004473/bt5811Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004473/bt5811Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812011749/ff2059Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two PbII atoms are bridged by the Hbtc ligands, forming a discrete centrosymmetric dinuclear complex. Inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the pyridine and imidazole rings, and between the pyridyl rings of the L ligands [centroid\u2013centroid distances = 3.600\u2005(6) and 3.732\u2005(6)\u2005\u00c5] lead to a three-dimensional supra\u00admolecular structure.In the title compound, [Pb DOI: 10.1107/S1600536810045812/hy2360Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ferrocenyl\u00adimine moieties are trans to each other.The title compound, [Fe DOI: 10.1107/S1600536812009191/pk2391Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Chem. For our al. 1999. 12H11OP)] = 0.019 wR(F 2) = 0.048 S = 1.03 4651 reflections291 parametersH-atom parameters constrainedmax = 0.74 e \u00c5\u22123 \u0394\u03c1min = \u22120.63 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811035732/ru2011Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atoms display a distorted square-pyramidal coordination geometry and are linked by two \u03bc2-phenolate O atoms from the salicylate ligands and two \u03bc3-hydroxo groups, forming a Cu4O4 core that adopts a \u2018stepped-cubane\u2019 geometry. In the crystal, the cations are linked by O\u2014H\u22efO hydrogen bonds to the nitrate anions, which are in turn connected via O\u2014H\u22efO inter\u00adactions to centrosymmentric water tetra\u00admers.The tetra\u00adnuclear title complex, [Cu DOI: 10.1107/S1600536811011433/gk2359Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure displays a distorted trigonal-pyramidally coordinated cobalt(I) atom, with two phosphane ligands and one DMSO ligand in the equatorial plane. The coordination is completed by one further DMSO ligand and the anionic hydride in the axial positions.The title compound, [CoH(C DOI: 10.1107/S1600536810029466/bt5307Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II(C18H12N2O2)(C5H5N)], the CuII ion is coordinated by two O atoms and one N atom from the dianionic tridentate L 2\u2212 ligand and one N atom from a pyridine mol\u00adecule in a CuN2O2 distorted square-planar coordination environment.In the mononuclear title compound, [Cu DOI: 10.1107/S1600536811011081/zq2095Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two benzene rings of the biphenyl unit form a dihedral angle of 55.99\u2005(8)\u00b0. There are no significant hydrogen bonds observed in the crystal of this compound.In the title compound, C DOI: 10.1107/S1600536812018065/hb6748Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018065/hb6748Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Due to the proximity of the non-coordinating thione S atom, distortions from ideal tetra\u00adhedral geometry about the metal atom are evident with the widest C\u2014Sn\u2014S angle being 117.26\u2005(5)\u00b0. In the crystal, mol\u00adecules are linked by C\u2014H\u22efS inter\u00adactions, which generate helical supra\u00admolecular chains along the b axis.The title compound, [Sn(C DOI: 10.1107/S1600536811012426/hb5836Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere about the Na atom in each complex unit comprises five bonds to O atoms of the crown ether [Na\u2014O = 2.390\u2005(7)\u20132.466\u2005(6)\u2005\u00c5] and one to a thio\u00adsulfate O atom [Na\u2014O = 2.305\u2005(4) and 2.447\u2005(3)\u2005\u00c5].In the title complex, [Na(C DOI: 10.1107/S1600536811022252/zs2116Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "The octa\u00adhedra are connected by malonate anions, forming chains along the c-axis direction. O\u2014H\u22efO hydrogen bonds link these chains into a three-dimensional network.In the title compound, [Mg(C DOI: 10.1107/S1600536813034193/kj2236Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "It belongs to type II of the structural family of M I Ln III(PO3)4 compounds and is composed of \u221e(PO3)n]n\u2212 polyphosphate chains with a repeating unit of four PO4 tetra\u00adhedra. The chains extend parallel to [100] and share O atoms with irregular SmO8 polyhedra, forming a three-dimensional framework which delimits tunnels occupied by Na+ cations in a distorted octa\u00adhedral environment.NaSm(PO DOI: 10.1107/S1600536810022543/wm2360Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other two Ru atoms each carry two equatorial and two axial carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 77.94\u2005(13), 86.37\u2005(13) and 73.22\u2005(12)\u00b0 with each other. Two of the methylsulfanyl groups are disordered over two positions with refined site occupancies of 0.720\u2005(7):0.280\u2005(7) and 0.644\u2005(8):0.356\u2005(8). In the crystal structure, mol\u00adecules are linked into infinite chains along the a axis by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds.The crystal structure of the title DOI: 10.1107/S1600536810029223/lh5089Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by \u03c0\u2013\u03c0 stacking inter\u00adactions [shortest centroid\u2013centroid distance = 3.5537\u2005(18)\u2005\u00c5].In the title complex, [Cd(NO DOI: 10.1107/S160053681002550X/tk2681Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is characterized by polymeric zigzag chains running parallel to [2-10] and is stabilized by O\u2014H\u22efO hydrogen bonds.In the title complex, {[Zn(C DOI: 10.1107/S1600536812025068/bt5933Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "These help to stabilize the structure and link the mol\u00adecules, forming a three-dimensional network structure. The Ni2+ cation exists in a slightly distorted octahedral NiNO5 coordination environment. The thio\u00adphene rings are disordered over two equivalent conformations with occupancies of 0.881\u2005(3) and 0.119\u2005(3).In the crystal structure of the centrosymmetric binuclear title complex, [Ni DOI: 10.1107/S160053681102143X/bv2181Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are no significant hydrogen-bonding or \u03c0\u2013\u03c0 inter\u00adactions.In the title compound, [Co(C DOI: 10.1107/S1600536811046216/pv2467Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the aluminium ions lies on a crystallographic twofold axis. The sodium ions are situated over ten positions (one with site symmetry 2), all but one of which are partially occupied.The title compound, hepta\u00adsodium trialuminium tetrakis(diarsenate), has been isolated as single crystals from a solid-state reaction. Its structure, which is isotypic with that of the Na DOI: 10.1107/S1600536813020151/hb7105Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813020151/hb7105Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angles between the benzene rings and the naphthalene ring systems are 70.98\u2005(13) and 72.89\u2005(13)\u00b0. In the crystal, centrosymmetric\u00adally-related mol\u00adecules are linked into dimeric units by inter\u00admolecular C\u2014H\u22efO inter\u00adactions.In the title compound, C DOI: 10.1107/S1600536811029151/rz2629Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029151/rz2629Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each manganese(II) cation is coordinated by two terminally N-bonded seleno\u00adcyanate anions and four bpe ligands within a slightly distorted octa\u00adhedron. The manganese(II) cations are linked by the bpe ligands into chains that are further connected by these ligands into layers. These layers are stacked, forming cavities in which additional bpe solvent molecules are embedded.The crystal structure of the title compound, {[Mn(NCSe) DOI: 10.1107/S1600536811016199/bt5535Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N atoms are cis to each other, while the water O atoms and ligand O atoms are mutually trans. The crystal structure is stabilized by a network of O\u2014H\u22efO, O\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.730\u2005(3) and 3.652\u2005(3)\u2005\u00c5] between the 5-methyl\u00adpyrazine-2-carboxyl\u00adate ligands. The structure is isotypic with the manganese analog.In the title compound, [Cd(C DOI: 10.1107/S1600536811035045/bt5630Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This compound shows typical green terbium(III) luminescence upon excitation at about 335\u2005nm. The coordination geometry around the TbIII atom is a slightly distorted square anti\u00adprism. One hexa\u00adfluoro\u00adacetyl\u00adacetone ligand has a disordered CF3 group [occupancies of 0.575\u2005(4) and 0.425\u2005(4)]. A three-dimensional network is built up by linkage of TbIII complexes via C\u2014H\u22efF inter\u00adactions.The title compound, (C DOI: 10.1107/S1600536811055437/pk2378Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Cl atom, two acetate O atoms and two acetate C atoms are located on a mirror plane. The coordination of the diimidazole ligand to the ZnII ion gives an infinite one-dimensional zigzag structure along the b-axis direction with the charge balanced by the chloride and acetate ions.The title compound, [Zn(CH Cl(C14H14N4)] = 0.054wR(F2) = 0.124S = 1.001867 reflections118 parametersH-atom parameters constrainedmax = 0.55 e \u00c5\u22123\u0394\u03c1min = \u22120.50 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 global, I. DOI: Click here for additional data file.10.1107/S1600536813000524/hp2053Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The N\u2013H groups of the ligands, the carbonyl group of the DMF mol\u00adecule and uncoordinated water mol\u00adecule engage in N\u2014H\u22efO and O\u2014H\u22efO inter\u00adactions, generating a hydrogen-bonded ribbon that propagates along [110]. One thienyl ring is disordered over two positions in a 1:1 ratio.The metal atom of the title compound, [Zn(C DOI: 10.1107/S1600536810039504/ci5163Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77\u2005(2) and 0.23\u2005(2). Two K(18-crown-6)+ units are linked by inversion symmetry, forming a [bis\u00ad(\u03bc2-18-crown-6)dipottasium] system with approximately square-planar K2O2 units. Inversion symmetry also generates the Cd2I6 fragment and the polymeric system is extended along the c axis by the formation of K\u2014I\u2014Cd bridges.The reaction of CdCl DOI: Click here for additional data file.10.1107/S1600536813002274/sj5295Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by weak inter\u00admolecular C\u2014H\u22efBr hydrogen bonds and extensive inter\u00admolecular \u03c0\u2013\u03c0 contacts between the pyridine and benzene rings .In the title compound, [ZnBr DOI: 10.1107/S1600536810047434/jj2062Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A NiP2N rhombus occurs within the chelating ligand.In the title complex, [NiCl DOI: 10.1107/S1600536811042760/hb6453Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure exhibits alternating organic and inorganic layers parallel to and 3.9340\u2005(15)\u2005\u00c5].In the title compound, (C DOI: 10.1107/S1600536811007252/hy2408Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure of the title compound is composed of a three-dimensional anionic framework with composition \u221e3[Cr2(PO4)3]3\u2212 and Li+ ions situated in the empty channels. The rigid framework built up from CrO6 octa\u00adhedra and PO4 tetra\u00adhedra is the same as that found in other monoclinic Li3M2(PO4)3 phases. The three Li+ cations of Li3Cr2(PO4)3 are unequally disordered over six crystallographically different sites. The classical charge balance of the title compound can be represented as [Li+]3[Cr3+]2[P5+]3[O2\u2212]12. Solid-state UV/Vis spectra indicate that the crystal filed splitting (\u03940) of the Cr3+ ion is around 2.22\u2005eV.The monoclinic form of trilithium dichromium(III) tris\u00ad(ortho\u00adphosphate), Li DOI: 10.1107/S1600536813026433/wm2772Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecules are stabilized by C\u2014H\u22efCl hydrogen bonds. In the crystal, inter\u00admolecular C\u2014H\u22efCl and C\u2014H\u22efS hydrogen bonds with R 2 2(8), R 4 2(8) and R 2 2(6) ring motifs generate a polymeric network.In the centrosymmetric title compound, [Co DOI: 10.1107/S1600536811013067/si2349Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation is connected to the anion via three-center N\u2014H\u22efCl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811025347/gk2387Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII atom has an octa\u00adhedral coordination environment composed of four N atoms from two different symmetry-related N-heterocyclic ligands forming the basal plane, and two O atoms from symmetry-related formate anions occupying the apical positions. The title compound forms a two-dimensional net parallel to (100) with all the MnII atoms lying on a plane. The crystal structure is consolidated by inter\u00admolecular N\u2014H\u22efO hydrogen bonds..In the title compound, [Mn(CHO DOI: 10.1107/S1600536810044053/bx2313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dimeric cobalt(II) complex exhibits a crystallographic center of inversion in the middle of the Co2N2 ring (average Co\u2014N = 2.050\u2005\u00c5). The CoII atom shows a distorted tetra\u00adhedral coordination sphere. The exocyclic Co\u2014N bond length to the pyridyl group shows a similar value of 2.045\u2005(4)\u2005\u00c5. The exocyclic methyl group has a rather long Co\u2014C bond length of 2.019\u2005(5)\u2005\u00c5.The green title complex, [Co The formation of para-tolyl\u00adcobalt complexes was reported by Zhu & Budzelaar 2(C12H21N2Si)2] = 0.061wR(F2) = 0.129S = 0.923551 reflections160 parametersH-atom parameters constrainedmax = 0.39 e \u00c5\u22123\u0394\u03c1min = \u22120.39 e \u00c5\u22123\u0394\u03c1COLLECT used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812032321/im2393Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811001759/ng5084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anion, three BiIII ions adopt an octa\u00adhedral coordination constructed by six I\u2212 ligands. The three BiI6 octa\u00adhedra are fused together through trans face-sharing.In the title complex, [Co(C DOI: 10.1107/S1600536811033460/om2460Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The morpholine ring adopts a chair conformation.In the title complex, [ZnBr DOI: 10.1107/S1600536811002753/su2250Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [CdCl2(C10H8N2)2] exists in a distorted octa\u00adhedral geometry [N\u2014Cd\u2014N = 148.29\u2005(17)\u00b0]; the Cl atoms are cis with respect to each other.The Cd DOI: 10.1107/S1600536810049251/jh2233Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A crystallographic inversion centre generates a Cu2I2 diamond with a Cu\u2013Cu separation of 3.0120\u2005(5)\u2005\u00c5. The complete N,N\u2032-(1-pyridin-4-yl-ethethyl\u00adidene)-hydrazine mol\u00adecule is also generated by inversion symmetry, and this bridging ligand leads to [011] polymeric chains in the crystal structure.In the title coordination polymer, [Cu For the al. 2006. 2I2(C14H14N4)(C18H15P)2] = 0.032 wR(F 2) = 0.086 S = 1.05 8881 reflections272 parametersH-atom parameters constrainedmax = 2.34 e \u00c5\u22123 \u0394\u03c1min = \u22121.81 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXTL global, I. DOI: 10.1107/S1600536811036555/hb6379Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the fluoro\u00adbenzene rings is 69.10\u2005(15).In the title mol\u00adecule, C DOI: 10.1107/S1600536812010744/hb6677Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010744/hb6677Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CoII ion is coordinated by a pyridine-2,6-dicarboxyl\u00adate ion and a 6-carb\u00adoxy\u00adpyridine-2-carboxyl\u00adate ligand almost perpendicular to each other [the angle between the least-squares planes is 87.38\u2005(4)\u00b0] and is surrounded by two O atoms and two N atoms in the equatorial plane and two O atoms in axial positions, resulting in a distorted octa\u00adhedral coordination geometry. There is an extensive three-dimensional network of O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, which link the components.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810048191/si2309Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hy\u00addroxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.In the title mol\u00adecule, C DOI: 10.1107/S1600536810030783/xu5011Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other Gd cation is coordinated by four 5-hy\u00addroxy\u00adisophthalate anions and one 2,2\u2032-bipyridine ligand in a distorted N2O7 tricapped trigonal\u2013prismatic coordination geometry. The 5-hy\u00addroxy\u00adisophthalate anions bridge the Gd cations, forming a layer structure. The layers are further connected by extensive O\u2014H\u22efO hydrogen bonding, assembling a three-dimensional supra\u00admolecular network.The asymmetric unit of the title coordination polymer, {[Gd For a s al. 2002. For com al. 2005; Sun et al. 2005. 2(C8H4O5)3(C10H8N2)2(H2O)2]\u00b73H2O = 0.032 wR(F 2) = 0.076 S = 1.05 8089 reflections634 parameters252 restraintsH-atom parameters constrainedmax = 1.17 e \u00c5\u22123 \u0394\u03c1min = \u22121.33 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811035999/xu5312Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The monoclinic structure is isotypic with that of the GaIII analogue and is built of eight-membered phosphate ring anions P8O24 8\u2212 (2/m symmetry) isolated from each other and further linked by isolated AlO6 octa\u00adhedra are distributed over two columns. These columns alternate with empty octa\u00adgonally-shaped channels expanding through the P8O24 8\u2212 ring anions.Single crystals of the title compound, K DOI: 10.1107/S1600536810020751/wm2355Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure features a three-dimensional framework composed of planar [BO3]3\u2212 groups and distorted ScO6 octa\u00adhedra with Na atoms in the cavities. The Sc atom occupies a special position and of the two Na atoms, one occupies a special position . Single crystals of tris\u00adodium scandium bis\u00ad(orthoborate), Na DOI: 10.1107/S1600536812015061/fi2123Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efCl, N\u2014H\u22efO, O\u2014H\u22efO, O\u2014H\u22efCl and weak C\u2014H\u22efO hydrogen bonds link the components into a two-dimensional network parallel to (001).In the title complex, [Ni(C DOI: 10.1107/S1600536810050026/lh5172Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distance between the Mo0 atom and the cyclo\u00adpenta\u00addienyl ring is 2.0616\u2005(13)\u2005\u00c5.The title compound, [Mo(C DOI: 10.1107/S1600536810039747/wm2404Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co\u2014Co bond lengths in the Co4 tetrahedron vary from 2.3844\u2005(4) to 2.4608\u2005(4)\u2005\u00c5. Each Co atom is additionally \u03b75-bonded to a cyclopentadienyl (Cp) anion.In the title compound, [Co DOI: 10.1107/S1600536813030432/pk2502Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The parallel isoqiunoline ring systems of adjacent mol\u00adecules are partially overlapped, with the shorter face-to-face distance of 3.438\u2005(19)\u2005\u00c5 indicating the existence of weak \u03c0\u2013\u03c0 stacking in the crystal structure.In the title compound, [ZnCl DOI: 10.1107/S1600536810024803/hb5517Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title compound, [Bi(C DOI: 10.1107/S1600536811021039/xu5208Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021039/xu5208Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distance between the centroids of the Cp rings is 3.277\u2005(8)\u2005\u00c5. The relative orientation of the two Cp rings is characterized by a torsion angle of \u221264.3\u2005(3)\u00b0 defined by the two centroids and two substituted atoms.In the title compound, [Fe(C DOI: 10.1107/S1600536810043278/hy2361Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII ions are connected via the tetra\u00adchloro\u00adterephthalate dianions into a chain running along the crystallographic [110] direction. Adjacent chains are linked into a two-dimensional network arranged parallel to (010) by classical N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536812005429/rk2332Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom exists in a distorted tetra\u00adhedral geometry. Adjacent mol\u00adecules are linked by weak Sn\u22efCl contacts [3.703\u2005(1)\u2005\u00c5], forming a linear chain motif extending along the b axis.Mol\u00adecules of the title compound, [Sn(C DOI: 10.1107/S1600536810028072/bt5298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII ion is displaced by 0.586\u2005\u00c5 in the direction of the chloride ligand from the atoms forming the square plane. In the crystal, the components are linked by inter\u00admolecular O\u2014H\u22efO hydrogen bonds, generating chains along the b axis.In the title compound, [Zn(C Cl(C9H7NO)]\u00b7CH4O = 0.034 wR(F 2) = 0.082 S = 1.05 3806 reflections244 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.47 e \u00c5\u22123 \u0394\u03c1min = \u22120.42 e \u00c5\u22123 \u0394\u03c1 CrysAlis PRO used to solve structure: SHELXS97 global, I. DOI: 10.1107/S160053681103337X/lh5311Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by bifurcated N\u2014H\u22ef hydrogen bonds, generating [001] supra\u00admolecular chains.The title thio\u00adurea derivative, C DOI: 10.1107/S1600536811013638/hb5845Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is made up from two eclipsed As2O7 diarsenate groups (symmetry 1) with characteristically longer As\u2014O bridging bonds [1.756\u2005(4)\u20131.781\u2005(4)\u2005\u00c5] than the terminal As\u2014O bonds [1.636\u2005(4)\u20131.679\u2005(4)\u2005\u00c5] and four Sr2+ sites with coordination numbers ranging from seven to nine. The building units are arranged in sheets parallel to (001).The crystal structure of strontium diarsenate has been reinvestigated from single-crystal X-ray diffraction data. In contrast to the previous determinations of this structure [Weil al. 2009. Solid S al. 2012. Mater. DOI: 10.1107/S1600536813031619/wm2770Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Na\u2014N distances range from 2.427\u2005(3) to 2.507\u2005(3)\u2005\u00c5, intra-ligand N\u2014Na\u2014N angles range from 74.71\u2005(8) to 79.31\u2005(9)\u00b0, and adjacent inter-ligand N\u2014Na\u2014N angles range between 100.42\u2005(9) and 104.97\u2005(9)\u00b0. The structure is twinned by inversion [occupancy factors = 0.50\u2005(9)] and the trifluoro\u00admethane\u00adsulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781\u2005(3) and 0.219\u2005(3)].In the title salt, [Na(C DOI: 10.1107/S1600536812028413/tk5119Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the two chelating ligand moieties is 79.75\u2005(10)\u00b0. In the crystal, weak C\u2014H\u22efS inter\u00adactions give rise to chains extending along the c axis.In the title compound, [Hg(C DOI: 10.1107/S1600536812025901/zs2213Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The cations are occupationally disordered and are located in the interlayer space. For both types of cations, distorted coordination polyhedra are observed.The title compound, potassium strontium trialuminium tetra\u00adarsenate, was prepared by solid-state reaction. The structure consists of AlO DOI: 10.1107/S1600536812014304/br2195Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014304/br2195Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "These ligands bridge the NiII complex units, forming zigzag chains along the c axis. Adjacent chains are linked by O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supra\u00admolecular network.In the title compound, [Ni(CHO DOI: 10.1107/S1600536811012281/bq2289Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation and anion both lie on special positions of 2 site symmetry. In the anion, the rings make a dihedral angle of 65.3\u2005(1)\u00b0. The acid H atom is disordered about the special position.The anions of the title salt, NH DOI: 10.1107/S1600536810048841/hg2754Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1-[(4-methyl\u00adphen\u00adyl)imino\u00admeth\u00adyl]-2-naphtho\u00adlate ligands are coordinated in a trans arrangement with respect to the N and O atoms. In the symmetry-unique ligand, the dihedral angle between the naphthalene ring system and the benzene ring of the methyl\u00adphenyl group is 49.03\u2005(7)\u00b0.In the title complex, [Ni(C DOI: 10.1107/S1600536811010087/lh5218Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PdII ion, located on an inversion center, is four-coordinated by two of the Schiff base ligands in a square-planar geometry. In the crystal, the indolic NH groups are bonded to the dimethyl\u00adformamide (DMF) solvent mol\u00adecules via an N\u2014H\u22efO inter\u00adaction. In addition, C\u2014H\u22efS inter\u00adactions are observed.In the title compound, [Pd(C DOI: 10.1107/S1600536810051780/pv2368Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810027236/lh5081Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Hydrogen bonding between hy\u00addroxy H and carboxyl\u00adate O atoms results in a layer structure parallel to the ab plane.In the title compound, [Cu(C DOI: 10.1107/S1600536811023038/om2435Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A paddle-wheel-like dimer is formed by two CuII ions and four benzoate anions with two 3,5-dimethyl\u00adpyridine ligands at the axial position of the CuII ions. The dihedral angle between the two unique benzene rings is 84.26\u2005(16)\u00b0. The dihedral angles between the pyridine ring and the benzene rings are 61.67\u2005(15) and 34.27\u2005(14)\u00b0. There is \u03c0\u2013\u03c0 stacking of inversion-related pyridine rings, with a centroid\u2013centroid distance of 3.833\u2005(2)\u2005\u00c5.In the centrosymmetric binuclear title compound, [Cu For a general review of copper(II) carboxyl\u00adates, see: Doedens 1976. For the2(C7H5O2)4(C7H9N)2] = 0.067wR(F2) = 0.162S = 1.064417 reflections244 parametersH-atom parameters constrainedmax = 0.46 e \u00c5\u22123\u0394\u03c1min = \u22120.40 e \u00c5\u22123\u0394\u03c1PROCESS-AUTO used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812008604/pk2382Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular N\u2014H\u22efCl and N\u2014H\u22efO hydrogen bonds link the cations and anions into layers parallel to the ac plane. The crystal packing exhibits voids of 37\u2005\u00c53.In the title compound, (NH DOI: 10.1107/S1600536810054310/cv5016Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are connected by O\u2014H\u22efN hydrogen bonds, forming a chain in the b-axis direction.The title co-crystal, C DOI: 10.1107/S1600536811029308/vm2111Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The meta-Cl atom in the aniline ring is positioned anti to the N\u2014H bond. The two benzene rings make a dihedral angle of 40.40\u2005(11)\u00b0. The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into chains along the a axis. In the title compound, C DOI: 10.1107/S1600536811040992/bq2309Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040992/bq2309Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridine and tetra\u00adzole rings in the 5-(pyridinium-3-yl)tetra\u00adzol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70\u2005(1)\u00b0. The zwitterions, Br anions and complex cations are connected by O\u2014H\u22efBr, O\u2014H\u22efN and N\u2014H\u22efBr hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Mg(H DOI: 10.1107/S1600536810052992/hy2389Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit comprises one Zr, one La and four S atoms. The Zr and three S atoms are situated on mirror planes. The structure consists of LaS8 face-sharing bicapped distorted trigonal prisms and ZrS7 edge-sharing monocapped octa\u00adhedra.Zirconium(IV) dilanthanum(III) penta\u00adsulfide, ZrLa DOI: 10.1107/S1600536811045193/wm2549Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the molecules are linked by C\u2014H\u22efO and C\u2014H\u22efBr inter\u00adactions.The non-H atoms of the title compound, C DOI: 10.1107/S1600536811030960/bt5592Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030960/bt5592Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The plane of the phenyl substituent is twisted by 38.1\u2005(1)\u00b0 [43.6\u2005(1)\u00b0 in the second mol\u00adecule] out of the plane of the quinoxaline ring system. The five-membered ring of the substituent at the 2-position adopts an envelope conformation; the 5-CH2 atom representing the flap lies out of the plane defined by the other four atoms [deviation 0.264\u2005(7)\u2005\u00c5 in the first mol\u00adecule and 0.291\u2005(6)\u2005\u00c5 in the second]. The dihedral angle between the five-membered ring and the 4-phenyl ring is 84.9\u2005(1)\u00b0 while that between the five-membered ring and the 5-phenyl ring is 65.6\u2005(1)\u00b0.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811014632/bt5521Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co2+ ion adopts an octa\u00adhedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The CoII atoms are connected by two bridging azide ligands, resulting in a chain parallel to the c axis.The title layered polymer, [Co(N DOI: Click here for additional data file.10.1107/S1600536813005205/vm2189Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The title compound is isostructural with KNb2PS10, with the Nb sites occupied by statistically disordered Nb (88.5%) and Ta (11.5%) atoms. The structure is composed of anionic \u221e1[M2PS10]\u2212 chains along [100] (M = Nb/Ta) and K+ ions. This chain is built up from distorted bicapped trigonal prisms [MS8] and [PS4] tetra\u00adhedra. There are no inter\u00adchain bonding inter\u00adactions, except for electrostatic and van der Waals forces. The S22\u2212 and S2\u2212 anionic species and the M4+\u2013M4+ pair [M\u2014M = 2.8939\u2005(3)\u2005\u00c5] are observed. The classical charge balance is represented by [K+][M4+]2[PS43\u2212][S22\u2212]3.The title compound DOI: 10.1107/S1600536814000592/ru2056Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the crystal, complex mol\u00adecules are linked via inter\u00admolecular O\u2014H\u22efO hydrogen bonds, forming chains along [100].In the title complex, [Sn(C DOI: 10.1107/S1600536811011184/lh5223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuI ion is coordinated in a distorted tetra\u00adhedral geometry by two bridging Br atoms in addition to an N and an S atom from the 2-[disulfan\u00adyl]-4,6-dimethyl\u00adpyrimidine ligand. In the crystal, \u03c0\u2013\u03c0 stacking inter\u00adactions are observed with a centroid\u2013centroid distance of 3.590\u2005(2)\u2005\u00c5.The title dinuclear complex, [Cu DOI: 10.1107/S1600536812016315/lh5449Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Co2+ cations are coordinated by two N-bonded seleno\u00adcyanate ligands and four N atoms from four pyridazine ligands into discrete complexes. The complexes are arranged into layers parallel to (001). These layers are separated by additional non-coordinating pyridazine ligands.Reaction of cobalt(II) nitrate with potassium seleno\u00adcyanate and pyridazine leads to single crystals of the title compound, [Co(NCSe) DOI: 10.1107/S1600536812027742/wm2650Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In both cases, the thio\u00adphene ring is rotated by approximately 180\u00b0 for the second component. Important geometrical parameters include Au\u2014P = 2.235\u2005(2) and 2.237\u2005(2)\u2005\u00c5, Au\u2014Cl = 2.286\u2005(2) and 2.292\u2005(2)\u2005\u00c5, and P\u2014Au\u2014Cl = 177.39\u2005(8) and 172.63\u2005(7)\u00b0. Weak inter\u00admolecular C\u2014H\u22efCl inter\u00adactions are observed in the crystal structure.The title compound, [AuCl(C DOI: 10.1107/S1600536811052536/zq2145Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In L, the short distance of 3.621\u2005(3)\u2005\u00c5 between the centroids of pyridine and benzene rings indicates the presence of a \u03c0\u2013\u03c0 inter\u00adaction. The crystal packing exhibits weak inter\u00admolecular C\u2014H\u22efF contacts. The solvent mol\u00adecule has been treated as disordered between two positions of equal occupancy related by an inversion center.In the title compound, [Pd(CH DOI: 10.1107/S1600536811005757/cv5046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III atom in the anion of the title complex, (C9H14N)[Ni(C4N2S2)2], is coordinated by four S atoms of two maleonitrile\u00addithiol\u00adate ligands, and exhibits a square-planar coordination geometry.The Ni DOI: 10.1107/S1600536811042103/tk2798Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4,4\u2032-dibenzoate anion is centrosymmetric with the mid-point of the central ethane C\u2014C bond located on an inversion center. The uncoordinated water mol\u00adecule is located on a mirror plane. Extensive O\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title compound, [Ni(H DOI: 10.1107/S1600536810039917/xu5046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A near-linear O\u2014H\u22efI hydrogen bond also exists between the cation and anion, resulting in a two-dimensional network. In the cation, the carboxyl group is twisted with respect to the pyridine ring at a dihedral angle of 15.34\u2005(17)\u00b0.In the crystal structure of the title salt, C DOI: 10.1107/S1600536810021501/xu2766Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the mol\u00adecules pack in layers parallel to (10The title compound, C DOI: 10.1107/S1600536810024311/fk2020Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Comparing the structure with published data of similar compounds shows that the Ge\u2014O bonds are covalent and the Ge\u2014N bond is coordinated.In the title compound, [Ge(C DOI: 10.1107/S160053681200503X/hy2510Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Pairs of bridging ammonium\u00adisophthalate ligands connect symmetry-related MgII ions, forming chains along [010]. In the crystal, inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds link these chains into a three-dimensional network. The centroids of pairs of symmetry-related benzene rings within a chain are separated by 3.5707\u2005(12)\u2005\u00c5.In the title compound, [Mg(C DOI: 10.1107/S1600536810040250/lh5144Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hydrogen-bond lengths determined from the structure refinement agree well with Raman spectroscopic data.The crystal structure of kovdorskite, ideally Mg al. 1980. Dokl. A DOI: 10.1107/S1600536812000256/wm2577Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Chains with the bridging ligands are formed along the a axis. C\u2014H\u22efF inter\u00adactions stabilize the structure. C\u2014O\u22ef\u03c0 inter\u00adactions also occur.In the title complex, {[Cu(C DOI: 10.1107/S1600536811050628/bt5715Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the 2-[(propan-2-yl\u00adoxy)\u00adcarbon\u00adyl]quinolin-1-ium cation is linked to the Sn complex anion by an N\u2014H\u22efO hydrogen bond.In the title salt, (C DOI: 10.1107/S1600536812019496/xu5530Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The C atom of the meth\u00adoxy group is close to coplanar with its attached ring [deviation = 0.208\u2005(2)\u2005\u00c5]. In the crystal, weak aromatic \u03c0\u2013\u03c0 stacking [centroid\u2013centroid separation = 3.8563\u2005(13)\u2005\u00c5] occurs between inversion-related pairs of benzene rings.In the title compound, C DOI: 10.1107/S1600536812026888/hb6853Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812026888/hb6853Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination number of the EuIII ion is ten. The L ligands chelate with a strong Eu\u2014O(deprotonated phenolate) bond and a weak Eu\u2014O(meth\u00adoxy) contact, the latter can be inter\u00adpreted as the apices of the bicapped square-anti\u00adprismatic EuIII polyhedron. Intra\u00admolecular N\u2014H\u22efO hydrogen bonds occur.The crystal structure of title compound, [Eu(NO DOI: 10.1107/S1600536810042194/hg2728Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The square-planar geometry of the Cu atoms in the monomer thus becomes square-based pyramidal in the dimer. The crystal studied was an inversion twin, with unequal populations of 0.353\u2005(17) and 0.647\u2005(17).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536811015674/pk2308Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NCS\u2212 anions are trans and four N atoms from the 1-allyl\u00adimidazole ligands define the equatorial plane. The mean Mn\u2014N(Aim) and Mn\u2014N(NCS) distances are 2.105\u2005(2) and 2.098\u2005(2)\u2005\u00c5, respectively. Weak C\u2014H\u22efN inter\u00adactions contribute to the crystal packing stability.The structure of the title compound, [Ni(NCS) DOI: 10.1107/S1600536812001584/hg5160Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001584/hg5160Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The polymer propagates as a chain along the a axis. There are two independent formula units in the asymmetric unit; the furyl ring of one of the anions is disordered over two positions in a 0.630\u2005(8):0.370\u2005(8) ratio. The crystal studied was a non-merohedral twin with a minor twin domain of 37.3\u2005(1)%.In the title carboxyl\u00adate-bridged polymer, [Sn(C For a related tribenzyl\u00adtin cinnamate, see: Lo & Ng 2011. 7H7)3(C7H5O3)] = 0.033 wR(F 2) = 0.106 S = 1.07 11649 reflections603 parameters56 restraintsH-atom parameters constrainedmax = 0.80 e \u00c5\u22123 \u0394\u03c1min = \u22120.58 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811023919/xu5233Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dmphen ligand is nearly planar (r.m.s. deviation = 0.0225\u2005\u00c5). The dihedral angle between the normal to the plane defined by the HgII atom and the two Cl atoms and the normal to the plane of the dmphen ring is 81.8\u2005(1)\u00b0.The title compound, [HgCl DOI: Click here for additional data file.10.1107/S1600536813001086/br2220Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The overall coordination sphere of the Hg+ atom is a considerably distorted octa\u00adhedron. The crystal specimen under investigation was twinned by non-merohedry with a refined twin domain fraction of 0.853\u2005(14):0.147\u2005(14).The crystal structure of mercurous iodide, Hgurst 1926. J. Am. DOI: 10.1107/S1600536811056339/wm2566Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The range for the six bond angles about the Cu2+ cation is 81.49\u2005(11)\u2013145.95\u2005(9)\u00b0. The chelate ring including the CuII atom is approximately planar, with a maximum deviation of 0.039\u2005(4)\u2005\u00c5 for one of the C atoms; this plane forms a dihedral angle of 46.69\u2005(9)\u00b0 with the CuCl2 plane.In the title complex, [CuCl DOI: 10.1107/S160053681104390X/zs2154Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atoms are chelated by one of the two carboxyl\u00adate ions; the other carboxyl\u00adate ion bridges two metal atoms. The geometry of the six-coordinate SnIV atom is a distorted trans-C2SnO4 octa\u00adhedron [C\u2014Sn\u2014C = 155.32\u2005(8)\u00b0].The dinuclear title complex, [Sn DOI: 10.1107/S1600536811015716/bt5526Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four N atoms comprise a square and the one O atom the apex of a square pyramid. The two chelating N2C2 groups are oriented at 71.1\u2005(2)\u00b0. In the crystal, the components are connected by inter\u00admolecular O\u2014H\u22efO hydrogen bonding. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model.In the title compound, [Cu(SO DOI: 10.1107/S1600536811031175/bt5595Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hy\u00addroxy\u00adlaminate monoanions are bidentate chelating ligands. The Cu2+ cations form stacks along [010], with inter\u00admolecular Cu\u22efN contacts of 3.146\u2005(2) and 3.653\u2005(2)\u2005\u00c5.In the centrosymmetric title compound, [Cu(C DOI: 10.1107/S1600536814004978/pj2009Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004978/pj2009Isup3.molSupporting information file. DOI: 989916CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The dianion exhibits a \u03bc10-bridging mode. Each Na atom lies in a NaO6 octa\u00adhedron defined by six O atoms from five dianions. Adjacent NaO6 octa\u00adhedra share a common O\u2014O edge, generating a biocta\u00adhedron; adjacent biocta\u00adhedra are O\u2014O edge-connected to one another, building up a chain along [001]. The chains are connected by adjacent H2BTC2\u2212 anions into a three-dimensional framework. The structure is further stabilized by O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, [Na DOI: 10.1107/S1600536810040857/ng5044Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atom adopts a near-regular CdO6 octa\u00adhedral coordination geometry. The crystal structure can be described as an alternation of cationic and anionic layers along [010], and numerous O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds are observed. No thermal anomalies corresponding to possible phase transitions were observed in DSC measurements and the 93\u2005K structure is almost the same as the room-temperature structure.The title double mol\u00adecular salt, (C DOI: 10.1107/S1600536812020089/hb6712Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the carboxyl\u00adate groups act as bridging ligands, forming a two-dimensional polymer parallel to (001). The aqua ligand, which lies on a twofold rotation axis, forms inter\u00admolecular O\u2014H\u22efO hydrogen bonds within these layers. In the title compound, [K DOI: 10.1107/S1600536812008963/lh5422Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is governed by an extensive three-dimensional network of inter\u00admolecular O\u2014H\u22efCl, C\u2014H\u22efCl, N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds, two of them bifurcated.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810026073/hb5541Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The framework possesses very large channels wherein the organic cations reside. A network of O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds consolidates the crystal packing.The title compound, 2C DOI: 10.1107/S1600536810038225/bv2159Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Conventional O\u2014H\u22efO hydrogen bonds link the complex mol\u00adecules, forming layers parallel to the ab plane.In the monomeric title complex, [Cu(C DOI: 10.1107/S160053681100064X/bt5450Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each GdIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, one bidentate chelating carboxyl\u00adate group and four bridging carboxyl\u00adate groups in a distorted GdN2O7 monocapped square-anti\u00adprismatic geometry.In the centrosymmetric binuclear title complex, [Gd DOI: 10.1107/S1600536811036130/wm2524Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the three components are assembled into a tape structure along the a axis by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds. Between the tapes, a \u03c0\u2013\u03c0 inter\u00adaction with a centroid\u2013centroid distance of 3.569\u2005(3)\u2005\u00c5 and a weak C\u2014H\u22efF hydrogen bond are observed.In the title compound, [Mn(C DOI: 10.1107/S1600536811049968/is2782Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex, the MnII ion is six-coordinated in a considerably distorted octa\u00adhedral environment defined by three N atoms of the tridentate 2,3,5,6-tetra-2-pyridyl\u00adpyrazine (tppz) ligand, one I\u2212 anion and two O atoms of two water ligands. The dihedral angles between the pyridyl rings [maximum deviation = 0.034\u2005(6)\u2005\u00c5] and their carrier pyrazine ring [maximum deviation = 0.020\u2005(6)\u2005\u00c5] are 26.5\u2005(2) and 27.0\u2005(2)\u00b0 for the coordinated pyridyl rings, and 51.3\u2005(3) and 43.2\u2005(2)\u00b0 for the uncoordinated pyridyl rings. Inter\u00admolecular O\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efI hydrogen bonds stabilize the crystal structure.The asymmetric unit of the title compound, [MnI(C II complexes with tppz, see: Callejo et al. (H2O)2]I\u00b7H2O = 0.040 wR(F 2) = 0.115 S = 1.23 5463 reflections325 parameters1 restraintH-atom parameters constrainedmax = 1.06 e \u00c5\u22123 \u0394\u03c1min = \u22121.41 e \u00c5\u22123 \u0394\u03c1Absolute structure: Flack 1983; 2033 FrFlack parameter: \u22120.01 (4) SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811035434/zq2121Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The aromatic rings in the two ligands are almost vertical, with a dihedral angle of 85.3\u00b0. In the crystal, cations and anions are linked by weak C(N)\u2014H\u22efO hydrogen bonding.In the unsymmetrical title complex, [Ni(C DOI: 10.1107/S1600536812021058/kp2412Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The acesulfamate ligand is N-bound to Pd [Pd\u2014N = 2.127\u2005(2)\u2005\u00c5] with a dihedral angle of 76.35\u2005(6)\u00b0 relative to the square plane. Relatively long phen\u00adyl\u2013acesulfamate C\u2014H\u22efO and phen\u00adyl\u2013fluorine C\u2014H\u22efF inter\u00adactions consolidate the crystal packing.The title acesulfamate complex, [Pd(C DOI: 10.1107/S1600536811002911/gw2097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three anions are disordered over two sites through a rotation along one of the F\u2014P\u2014F axes. The relative occupancies of the two sites for the F atoms are 0.643\u2005(16):0.357\u2005(16), 0.677\u2005(10):0.323\u2005(10) and 0.723\u2005(13):0.277\u2005(13). The crystal used was a racemic twin, with approximately equal twin components.In the title compound, [Li(CH DOI: 10.1107/S1600536811027528/fj2439Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811042061/ng5233Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeIII atom is displaced by 0.40\u2005(1)\u2005\u00c5 towards the trifluoro\u00admethane\u00adsulfonate anion from the 24-atom mean plane of the porphyrin. The average Fe\u2014Np distance is 2.044\u2005(2)\u2005\u00c5 and the Fe\u2014O distance is 2.001\u2005(2)\u2005\u00c5.The title compound, [Fe(CF DOI: 10.1107/S1600536811001395/bv2171Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supra\u00admolecular structure parallel to (001) is formed through O\u2014H\u22efO hydrogen-bond inter\u00adactions between the coordinated water mol\u00adecules and the O atoms of nearby carboxyl\u00adate groups.In the title compound, [Ni(C DOI: 10.1107/S1600536811016400/hb5864Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811016400/hb5864Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O atoms of one of the nitro groups are disordered over two sets of sites, with refined occupancies of 0.55\u2005(4) and 0.45\u2005(4). The closest inter\u00admolecular inter\u00adaction is a weak C\u2014H\u22efO hydrogen bond.In the title mononuclear complex, [Sn(CH DOI: 10.1107/S1600536811022240/lh5258Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked into a ladders by four weak C\u2014H\u22ef\u03c0 inter\u00adactions.In the title mol\u00adecule, C DOI: 10.1107/S160053681005083X/lh5183Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S160053681100849X/jh2269Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The DMPA ligands coordinate in bis-chelate, bridging and bridging tridentate modes. An intra\u00admolecular C\u2014H\u22efO hydrogen bond occurs. Inter\u00admolecular C\u2014H\u22efO inter\u00adactions are also present in the crystal. In the centrosymmetric dinuclear title complex, [Sm DOI: 10.1107/S1600536810037153/fk2022Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The axial positions are occupied by a carboxyl\u00adate O atom from the benzoate ligand and an N atom from the 1,10-phenanthroline ligand [N\u2014Zn\u2014O = 146.90\u2005(7)\u00b0]. The water mol\u00adecule forms an intra\u00admolecular O\u2014H\u22efO hydrogen bond; an inter\u00admolecular O\u2014H\u22efO hydrogen bond gives rise to a dimer.The Zn atom in the title compound, [Zn(C DOI: 10.1107/S1600536810049639/ng5072Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there is a weak inter\u00admolecular C\u2014H\u22efO hydrogen bond as well as short inter\u00admolecular Br\u22efBr contacts [3.3352\u2005(12)\u2005\u00c5].In the title compound, C DOI: 10.1107/S1600536811016047/zs2109Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The phenyl ring of one of the six benzyl units was refined as equally disordered over two sets of sites.In the title tribenzyl\u00adchloridotin\u2013triphenyl\u00adphosphine adduct, [Sn(C DOI: 10.1107/S160053681101957X/zs2112Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into chains running along the c axis.In the title compound, C DOI: 10.1107/S1600536811044904/bt5690Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044904/bt5690Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII cation, which is located on a center of inversion, is coordinated by two N-bonded and two S-bonded thio\u00adcyanate anions and by two N-bonded 2-chloro\u00adpyrazine ligands within a slightly distorted octa\u00adhedron. The CdII cations are linked into chains along the a axis by bridging thio\u00adcyanate anions.Reaction of cadmium thio\u00adcyanate with 2-chloro\u00adpyrazine leads to the polymeric title compound, [Cd(NCS) DOI: Click here for additional data file.10.1107/S1600536813006338/bt6896Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the two planar imidazolium rings in the cation is 74.4\u2005(4)\u00b0. The crystal packing is stabilized by weak inter\u00admolecular C\u2014H\u22efBr hydrogen bonds between the cation and the tetrahedral anion, building up a three-dimensionnal network.The title compound, (C DOI: 10.1107/S1600536810031211/dn2593Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each TbIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, one bidentate carboxyl\u00adate group and four bridging carboxyl\u00adate groups in a distorted TbN2O7 monocapped square-anti\u00adprismatic geometry.In the centrosymmetric binuclear title complex, [Tb DOI: 10.1107/S1600536811032041/hb6349Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds stabilize the crystal structure.In the title compound, [Zn(NO DOI: 10.1107/S1600536810030485/hy2332Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chelate rings are nearly mutually perpendicular [the inter\u00adplanar angles range from 85.48\u2005(17) to 89.17\u2005(19)\u00b0]. The two 2-(2-pyrid\u00adyl)phenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3\u2005(3) and 5.1\u2005(3)\u00b0 in the two ligands. The inter\u00adplanar angle between the phenyl ring in 3-benzoyl-camphor and the IrO2C3 chelate ring is 35.5\u2005(2)\u00b0.The title compound, [Ir(C DOI: 10.1107/S1600536811039262/su2315Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak C\u2014H\u22efO inter\u00adactions and a short Br\u22efBr contact [3.4597\u2005(12)\u2005\u00c5] are observed.In the title mononuclear dioxidovanadium(V) complex, [V(C O2] = 0.044 wR(F 2) = 0.096 S = 1.02 3204 reflections190 parametersH-atom parameters constrainedmax = 0.61 e \u00c5\u22123 \u0394\u03c1min = \u22120.62 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811035240/is2767Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The TiIV atom displays a distorted tetra\u00adhedral geometry, with Ti\u2014O bond lengths ranging from 1.805\u2005(3) to 1.830\u2005(3)\u2005\u00c5 and O\u2014Ti\u2014O ligand bite angles of 100.16\u2005(12) and 101.36\u2005(12)\u00b0. The short Ti\u2014N bond distances, ranging from 1.877\u2005(4) to 1.905\u2005(4)\u2005\u00c5, indicate strong bonding between the TiIV atom and the dimethyl\u00adamide ligands.In the title four-coordinate complex, [Ti(C DOI: 10.1107/S1600536812002929/yk2040Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The distorted penta\u00adgonal\u2013bipyramidal coordination about each metal atom is completed by the N atoms of bridging 1,2-bis\u00ad(4-pyrid\u00adyl)ethene ligands, which link these one-dimensional chains into a two-dimensional net extending along the (101) plane.In the title coordination polymer, [Cd(C II, dipyridyl ligands and dicarboxyl\u00adate ligands, see: Tao et al. (C12H10N2)] = 0.033 wR(F 2) = 0.083 S = 1.09 4256 reflections263 parametersH-atom parameters constrainedmax = 1.16 e \u00c5\u22123 \u0394\u03c1min = \u22120.85 e \u00c5\u22123 \u0394\u03c1 CrystalClear I, global. DOI: 10.1107/S1600536811043467/bq2313Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pd\u2014P and Pd\u2014Cl bond lengths are 2.3550\u2005(7) and 2.2906\u2005(7)\u2005\u00c5, respectively. Some weak inter\u00adactions are observed between the aromatic rings of adjacent mol\u00adecules, with an inter\u00adplanar distance between two \u03c0-stacked rings of 3.505\u2005(3)\u2005\u00c5. Intra- and intermolecular C\u2014H\u22efCl hydrogen bonds also occur.The title compound, DOI: 10.1107/S1600536810042595/pk2275Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked via O\u2014H\u22efO hydrogen bonds into a two-dimensional network parallel to (10In the title complex, [Ni(C DOI: 10.1107/S1600536811041134/lh5343Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811033800/lh5314Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII atoms are each octa\u00adhedrally surrounded by four N atoms from two 1,10-phenanthroline (phen) ligands, one O atom from one carbonyl group of the bridging sebacate ligand and one O atom of a water mol\u00adecule. The crystal structure is stabilized by intermolecular O\u2014H\u22efO hydrogen bonds.In the title complex, [Mn DOI: 10.1107/S1600536810051615/bx2333Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the CuII atom is distorted square-planar. The dihedral angle between the two phenyl rings is 76.0\u2005(3) \u00b0. The crystal packing is stabilized by inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions.The complete mol\u00adecule of the title complex, [Cu(C DOI: 10.1107/S1600536811028844/tk2765Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two CoII cations of the binuclear complex are related by an inversion centre and are bridged by two symmetry-related azide ligands in both \u03bc1,1 and \u03bc1,3 modes. The \u03bc1,3 bridging mode gives rise to an infinite one-dimensional chain along the a axis, whereas the \u03bc1,1 bridging mode is responsible for the formation of the binuclear CoII complex.In the crystal structure of the binuclear title complex, [Co(N DOI: 10.1107/S1600536812006435/vn2030Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The presence of the electronegative fluoro substituent in the meta position of the aniline group does not alter the crystal packing compared to the other two derivatives. The molecules are connected into centrosymmetric dimers via N\u2014H\u22efO hydrogen bonds. In addition, C\u2014H\u22efO and C\u2014H\u22efN contacts stabilize the crystal packing.The title ferrocene derivative, [Fe(C al. 2012. Acta Cr al. 2012. Acta Cr DOI: 10.1107/S1600536812003510/bt5792Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The complex has the shape of a saddle. The Ni atom is tetra\u00adcoordinated by the four N atoms of the macrocycle, forming a slightly tetra\u00adhedrally distorted square-planar geometry. The metal is displaced by 0.0101\u2005(8)\u2005\u00c5 from the N4 mean plane. The aromatic rings of the 2,4-dichloro\u00adbenzoyl groups form dihedral angles of 87.1\u2005(2) and 82.1\u2005(2)\u00b0 with the N4 mean planeIn the title complex, [Ni(C DOI: 10.1107/S1600536812024671/rz2759Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812024671/rz2759Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812018831/aa2053Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom, located on a twofold rotation axis, is in a skew trapezoidal\u2013bipyramidal geometry, with the basal plane defined by two S,N-chelating 3-methyl\u00adsulfanyl-1,2,4-thia\u00addiazole-5-thiol\u00adate ligands. The apical positions are occupied by the C atoms of two 4-fluoro\u00adbenzyl groups.The mononuclear title molecule, [Sn(C DOI: 10.1107/S1600536811046654/xu5378Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central NiII ion is located on a crystallographic inversion centre and is bound to the four S atoms of the two [Ni(C10H22N2S2)] units to form a linear sulfur-bridged trimetallic moiety. The dihedral angle between the central NiS4 plane and the terminal NiN2S2 plane is 145.71\u2005(5)\u00b0. In the [Ni(C10H22N2S2)] unit, the two methyl groups on the chelating N atoms are cis to each other, and the two six-membered N,S-chelate rings adopt a chair conformation. The Ni\u2014S bond lengths and the S\u2014Ni\u2014S bite angles in the central NiS4 group are similar to those in the [Ni(C10H22N2S2)] unit.In the title compound, [Ni DOI: 10.1107/S1600536812006034/fj2508Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The solvent mol\u00adecules are linked by hydrogen bonds.The title dinuclear centrosymmetric complex, [Hg DOI: 10.1107/S160053681102040X/kp2329Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the PdII atoms are square-planarly coordinated to two Br atoms and two neutral (C6H10N2) ligands. The PdII atom is located on an inversion centre.The title compound, II atom square-planarly coordinated to two bromide ligands in trans-conformation as well as two equivalent organic ligands 2] = 0.044 wR(F 2) = 0.167 S = 1.63 2582 reflections88 parametersH-atom parameters constrainedmax = 1.84 e \u00c5\u22123 \u0394\u03c1min = \u22121.02 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811030480/zk2019Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A supra\u00admolecular chain aligned along [101] mediated by charge-assisted O/N\u2014H\u22efCl\u2212 hydrogen bonds features in the crystal packing. Chains are connected into a three-dimensional architecture by C\u2014H\u22efO(hy\u00addroxy) inter\u00adactions.In the title salt, C DOI: 10.1107/S1600536814004565/hg5387Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004565/hg5387Isup3.cmlSupporting information file. DOI: 988939CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The resulting cationic complex and the 3,5-dimethyl\u00adbenzoate anion are inter\u00adconnected by N\u2014H\u22efO hydrogen bonds.In the title compound, [Pd(C DOI: 10.1107/S1600536810028369/bt5293Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The salt is characterized as a mixed-valent FeII\u2013FeIII compound, in which an FeII atom is coordinated by three phen ligands, forming a six-coordinated cationic entity and the anionic part is formed by two FeIII atoms in tetra\u00adhedral coordination environments constructed by three chloride ions and one bridging oxide ligand. Intra\u00admolecular C\u2014H\u22efN hydrogen bonds are observed.In the title salt, [Fe(C DOI: 10.1107/S1600536811031783/bg2417Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812013049/mw2060Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the benzene ring and the naphthyl\u00adene ring system is 6.4\u2005(3)\u00b0. The deviation of the VV ion from the plane defined by the three donor atoms of the tridentate ligand and the meth\u00adoxy O atom towards the oxido O atom is 0.323\u2005(2)\u2005\u00c5. In the crystal, pairs of inter\u00admolecular O\u2014H\u22efN hydrogen bonds form centrosymmetric dimers.In the title complex, [V(C DOI: 10.1107/S1600536811032703/lh5304Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The calculated \u03c4 parameter of 0.42 indicates that the coordination geometry is approximately square-pyramidal. Hydrogen bonds involving centrosymmetric N\u2014H\u22efCl inter\u00adactions form dimeric structures. The mol\u00adecules are stacked along the a and b axes.In the mononuclear zinc title complex, [ZnCl DOI: 10.1107/S1600536811004314/zj2001Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645\u2005(8) and 0.1355\u2005(8)]. The anions and cations are linked by N\u2014H\u22efO hydrogen bonds and weak N\u2014H\u22efO inter\u00admolecular inter\u00adactions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hy\u00addroxy\u00adbenzoate , the nitrate and the tetra\u00adhydrogen penta\u00adborate salts.The asymmetric unit of the title salt C al. 2012. Acta Cr DOI: 10.1107/S1600536812030115/jj2134Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812030115/jj2134Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two half-cations are completed by crystallographic inversion symmetry. The FeIII atoms adopt fairly regular FeCl3O tetra\u00adhedral geometries, although the bridging Fe\u2014O\u2014Fe bond angles differ significantly in the two anions, which both adopt an eclipsed conformation. In the crystal, the components are linked by C\u2014H\u22efCl and C\u2014H\u22efO inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812019964/hb6765Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, the Sn atom exhibits an octa\u00adhedral geometry with the [N2S] anionic tridentate thio\u00adsemicarbazone ligand having chloride trans to the central N and the two phenyl groups trans to each other. The Sn\u2014Cl distance is 2.5929\u2005(6), Sn\u2014S is 2.4896\u2005(6) and Sn\u2014N to the central N is 2.3220\u2005(16)\u2005\u00c5. The MeOH mol\u00adecules link the Sn complexes into one-dimensional chains via N\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds.The title compound, [Sn(C DOI: 10.1107/S1600536811037627/zk2029Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclo\u00adpenta\u00addienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclo\u00adpenta\u00addienyl ring and two P atoms. Both Li(I) atoms adopt a distorted trigonal coordination. The structure was determined from a twinned crystal, but only the data from the main twin component was used. The fraction of components in the crystal was 0.555:0.445 and the twin matrix corresponds to twofold rotation about the c axis (The title compound, [Li DOI: 10.1107/S1600536810039759/bt5361Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atoms each show a distorted square-pyramidal coordination geometry. Intra\u00admolecular O\u2014H\u22efO hydrogen bonds occur. In the crystal, O\u2014H\u22efO hydrogen bonds join the components into a chain extending along the a axis.In the title compound, [Cu DOI: 10.1107/S1600536811041481/gk2407Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C atoms in Cp and Cps are in an eclipsed conformation. The AuI atom is coordinated by a P atom from the diphenyl\u00adphosphanyl group and a Cl atom in an almost linear arrangement [P\u2014Au\u2014Cl = 178.15\u2013(7)\u00b0]. Two hexa\u00adfluorido\u00adphosphate anions are each located on a twofold rotation axis. In the crystal, the complex cations and hexa\u00adfluorido\u00adphosphate anions are linked via inter\u00admolecular C\u2014H\u22efF hydrogen bonds.In the cobaltocenium group of the title compound, [AuCo(C DOI: 10.1107/S1600536811018769/hy2423Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SrO8 polyhedra are linked into inorganic chains by sharing three coplanar O atoms. These inorganic chains are extended along the b axis to form layers in the ab plane by O\u2014C\u2014O linking. Parallel layers are connected by terephthalic groups, forming a three-dimensional framework. O\u2014H\u22efO hydrogen-bonding inter\u00adactions are observed.In the title compound, [Sr(C DOI: 10.1107/S1600536810054486/bx2340Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.In the dinuclear title complex, [Fe DOI: 10.1107/S1600536810041966/cv2763Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The halogen atoms are all disordered, the bromine components being in 0.9035\u2005(17):0.0965\u2005(17), 0.6581\u2005(18):0.3419\u2005(18), 0.5019\u2005(19):0.4981\u2005(19) and 0.6847\u2005(19):0.3153\u2005(18) ratios. The aromatic rings of the cation are twisted by 25.0\u2005(1)\u00b0.The title salt, (C DOI: 10.1107/S1600536811000080/xu5137Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atoms are connected by the benzene-1,3-dicarboxyl\u00adate anions and the nitro\u00adgen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent ZnII cations, two BDC anions and two water mol\u00adecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.In the crystal structure of the title compound, [Zn DOI: 10.1107/S1600536810051433/nc2208Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The rhodium complexes link each other through weak inter\u00admolecular contacts between the acetone methyl groups and the carbonyl O atom. Inter\u00adactions between the acetone solvent mol\u00adecule and the Cl\u2014Rh unit results in a reduced P\u2014Rh\u2014Cl angle of 86.675\u2005(15)\u00b0.The title compound, DOI: 10.1107/S1600536810039814/si2294Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The zinc cation is coordinated by four N atoms of two terminal N-bonded thio\u00adcyanate anions and of two symmetry-related 3-methyl\u00adpyridine co-ligands, defining a slightly distorted tetra\u00adhedral coordination polyhedron.The asymmetric unit of the title compound, [Zn(NCS) DOI: 10.1107/S1600536811024561/wm2500Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The L ligand, which also lies across an inversion centre, bridges two CdII ions, forming layers parallel to (010).In the title coordination polymer, [CdBr DOI: 10.1107/S1600536811027759/hy2448Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the constituent units are linked into a two-dimensional network parallel to the ab plane by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536811035537/ci5198Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035537/ci5198Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This compound is stable in the air for several hours, but rapidly decomposes at room temperature in solution. The cobalt(I) atom has s trigonal\u2013bipyramidal coordination enviroment in which the cyano group and one of the PMe3 groups are in the axial positions.The title compound, [Co(CN)(C DOI: 10.1107/S160053681101083X/om2401Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thiophene rings form different dihedral angles [40.15\u2005(9) and 15.43\u2005(10)\u00b0] with the pyrazine ring. A strong \u03c0\u2013\u03c0 stacking inter\u00adaction occurs between adjacent pyrazine\u00adphenanthroline units with an inter\u00adplanar distance of 3.4352\u2005(16)\u2005\u00c5.The mol\u00adecule of the title compound, C DOI: 10.1107/S160053681201522X/aa2049Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ortho\u00adrhom\u00adbic structure is isotypic with \u03b1-Sr2P2O7 and is the second polymorph obtained for this composition. The structure is built from two different BaO9 polyhedra (both with m symmetry), with Ba\u2014O distances in the ranges 2.7585\u2005(10)\u20133.0850\u2005(6) and 2.5794\u2005(13)\u20132.9313\u2005(4)\u2005\u00c5. These polyhedra are further linked by sharing corners along [010] and either edges or triangular faces perpendicularly to [010] to form the three-dimensional framework. This polyhedral linkage delimits large channels parallel to [010] where the P2O7 diphosphate anions are located. These groups (symmetry m) are characterized by a P\u2014O\u2014P angle of 131.52\u2005(9)\u00b0 and an eclipsed conformation. They are connected to the BaO9 polyhedra through edges and corners.Single crystals of \u03b1-Ba DOI: 10.1107/S1600536810043539/wm2413Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII ions are linked by \u03bc2-OH-bdc and bbie ligands , forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31. In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536811039377/fj2452Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nuclei are 3.122\u2005(2)\u2005\u00c5 apart. The mol\u00adecule exhibits a twofold rotation axis.The title compound, [Au DOI: 10.1107/S1600536811028856/bg2412Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by C\u2014H\u22efN and C\u2014H\u22efS hydrogen bonds.In the title compound, [HgCl DOI: 10.1107/S1600536810028138/wm2376Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The product contains an unusual six-membered thiol\u00adate\u2013carboxyl\u00adate chelate ring. This slightly distorted octa\u00adhedral complex exhibits cis angles ranging from 77.55\u2005(11) to 97.30\u2005(8)\u00b0 due to the presence of the thiol\u00adate\u2013carboxyl\u00adate chelate ring and the constrained bipyridine group. The crystal packing appears to be controlled by a combination of \u03c0-stacking [centroid\u2013centroid distance = 3.611\u2005(2)\u2005\u00c5] and C\u2014H\u22efO inter\u00adactions.The title complex, [Pt(CH DOI: 10.1107/S1600536811013626/tk2735Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the anions and cations are linked by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds to form infinite two-dimensional networks parallel with the a unit-cell face. The conformation adopted by the cation in the crystal is very similar to that adopted by the same cation in the structures of the nitrate and tetra\u00adhydrogen penta\u00adborate salts.The asymmetric unit of the title salt, C DOI: 10.1107/S1600536812030103/jj2133Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812030103/jj2133Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The surface area within the N4-coordinating core (8.358\u2005\u00c52) is significantly smaller than that (8.503\u2005\u00c52) of the corresponding free-base porphyrin. Two intra\u00admolecular N\u2014H\u22efN hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato\u2013CuII occurred in the recrystallization process.The corrphycene mol\u00adecule of the title compound, [Cu(C DOI: 10.1107/S1600536811052214/is5019Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811052214/is5019Isup4.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is coordinated by three N atoms and one O atom [Ni\u2014O = 1.859\u2005(2)\u2005\u00c5], resulting in a pseudo-square-planar coordination environment.The title compound, [Ni(C DOI: 10.1107/S1600536812026827/im2378Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligand adopts a bidentate bridging coordination mode through one pyridyl N atom and one pyrimidine N atom. In the crystal structure, \u03c0\u2013\u03c0 inter\u00adactions are present between adjacent pyrimidine rings, with a centroid-to-centroid distance of 3.875\u2005(7)\u2005\u00c5.In the centrosymmetric dinuclear title complex, [Ag DOI: 10.1107/S1600536810043631/hy2366Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the central benzene ring and each of the two symmetry-related outer benzene rings is 5.1\u2005(2)\u00b0. The crystal structure is stabilized by inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions with centroid\u2013centroid distances in the range 3.466\u2005(2)\u20133.6431\u2005(16)\u2005\u00c5.In the title complex, [Cu(C DOI: 10.1107/S1600536810042789/lh5150Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811011974/gk2354Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atoms are connected [Cu\u2014Cu = 2.6329\u2005(16)\u2005\u00c5] and bridged by four acetate ligands. The distorted octa\u00adhedral coordination geometry is completed by a terminal pyridine N atom. The amine H atom forms an intra\u00admolecular N\u2014H\u22efO hydrogen bond.The complete dinuclear mol\u00adecule of the title complex, [Cu DOI: 10.1107/S1600536811044333/hg5122Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ ion is located on an inversion center and is coordinated by four S atoms from two mnt2\u2212 ligands, exhibiting a square-planar coordination geometry. The cation adopts a conformation where both the pyrazine ring and the benzene ring are twisted with respect to the C\u2014C\u2014N reference plane by 16.5\u2005(2) and 69.8\u2005(1)\u00b0, respectively.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536811022550/im2295Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CrIII atom is in a slightly distorted octa\u00adhedral environment with four N atoms of the macrocyclic ligand and two N-coordinated NCS\u2212 anions in cis positions. The average Cr\u2014N(cyclam) and Cr\u2014NCS bond lengths are 2.085\u2005(5) and 1.996\u2005(15)\u2005\u00c5, respectively. In the crystal, the uncoordinating SCN\u2212 anion is hydrogen bonded through N\u2014H\u22efS and N\u2014H\u22efN inter\u00adactions to neighbouring complex cations.The crystal structure of [Cr(NCS) DOI: 10.1107/S1600536813015456/lr2107Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the three meth\u00adoxy group is disordered over two sets of sites with an occupancy ratio of 0.768\u2005(5):0.232\u2005(5). The crystal packing can be described by alternating zigzag layers of organic ligands and CoN3O3 octa\u00adhedra along the c axis. There are no classical hydrogen bonds in the structure, but C\u2014H\u22ef\u03c0 inter\u00adactions occur.In the title compound, [Co(C DOI: 10.1107/S1600536812023033/bq2360Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The fundamental building units of the title structure are isolated PO4 tetra\u00adhedra, AlO6 octa\u00adhedra and P2O7 groups, which are further inter\u00adlocked by corner-sharing O atoms, forming a three-dimensional framework structure. The Na+ atoms are located within the cavities of the framework, showing coordination numbers of 4, 6 and 7.The asymmetric unit of title compound contains three Na DOI: 10.1107/S1600536811041729/wm2530Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Ti atom is bonded to a \u03b75-penta\u00admethyl\u00adcyclo\u00adpenta\u00addienyl ring, two (penta\u00adfluoro\u00adphen\u00adyl)methano\u00adlate anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetra\u00adhedron.The dinuclear title complex, [Ti DOI: 10.1107/S1600536811027814/lr2018Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027814/lr2018Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The conformation of oxymatrine is similar to that of matrine with one ring having a half-chair conformation, while the others have chair conformations. Chiral chains of cations along the c axis are formed by O\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812000281/mw2043Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08\u2005(6)\u00b0.In the crystal structure of the title coordination compound, [Ag(NO DOI: 10.1107/S1600536812006368/vn2026Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the structure of the title compound, both the [Al(H2O)6]3+ cation and the Anderson-type [Cr(OH)6Mo6O18]3\u2212 anion lie on centres of inversion. The anion is composed of seven edge-sharing octa\u00adhedra, six of which are MoO6 octa\u00adhedra that are arranged hexa\u00adgonally around the central Cr(OH)6 octa\u00adhedron. The anions are linked to each other by O\u2014H\u22efO hydrogen bonds into infinite chains along [100]. These chains are further connected with the [Al(H2O)6]3+ cations through O\u2014H\u22efO hydrogen bonds into sheets parallel to (01The title compound, [Al(H DOI: 10.1107/S1600536810053936/wm2434Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the carboxyl\u00adate ligands bridges the Eu cations, forming a one-dimensional coordination polymer along the b axis. The Eu\u2014O bond distances lie within the range 2.362\u2005(4)\u20132.461\u2005(4)\u2005\u00c5. In the crystal structure, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the polymers into a three-dimensional network.In the title structure, {Na[Eu(C DOI: 10.1107/S160053681003151X/tk2695Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The TiIV atom is bonded to a \u03b75-penta\u00admethyl\u00adcyclo\u00adpenta\u00addienyl ring, two penta\u00adfluoro\u00adphenolate anions and to the bridging O atom. The environment around the TiIV atom can be considered as a distorted tetra\u00adhedron. The cyclo\u00adpenta\u00addienyl ring is disordered over two sets of sites [site occupancy = 0.824\u2005(8) for the major component].The dinuclear title complex, [Ti DOI: 10.1107/S1600536811029357/bx2364Isup2.cdx Supplementary material file. DOI: 10.1107/S1600536811029357/bx2364Isup3.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The DMPA ligands are coordinated to the ErIII ion in bis-chelate, bridging and bridging tridentate modes. Relatively weak intra\u00admolecular C\u2014H\u22efO inter\u00adactions reinforce the stability of the mol\u00adecular structure. Inter\u00admolecular C\u2014H\u22efO inter\u00adactions are also observed.In the dimeric centrosymmetric title complex, [Er DOI: 10.1107/S1600536810040298/pv2331Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pendant methyl group of the ligand is statistically disordered over two sites. The Zn2+ cation is coordinated by the N,N\u2032,N\u2032\u2032-tridentate Schiff base ligand, and by two thio\u00adcyanate N atoms, forming a distorted ZnN5 trigonal\u2013bipyramidal geometry.The complete mol\u00adecule of the title mononuclear zinc(II) complex, [Zn(NCS) DOI: 10.1107/S1600536811043984/hb6391Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pt\u2014P bond lengths are 2.2490\u2005(19) and 2.253\u2005(2)\u2005\u00c5, and the Pt\u2014Cl bond lengths are 2.344\u2005(2) and 2.3475\u2005(18)\u2005\u00c5. Some weak C\u2014H\u22efCl and C\u2014H\u22efO inter\u00adactions involving the solvate mol\u00adecule were observed.The title compound, [PtCl For a review on related compounds, see: Spessard & Miessler 1996. For the2(C20H20P)2]\u00b7C4H8O2 = 0.058 wR(F 2) = 0.144 S = 1.01 10080 reflections484 parameters6 restraintsH-atom parameters constrainedmax = 1.53 e \u00c5\u22123 \u0394\u03c1min = \u22121.87 e \u00c5\u22123 \u0394\u03c1 APEX2 global, I. DOI: 10.1107/S1600536811035628/rk2293Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The carboxylate groups bridge the PbII cations, forming a three-dimensional polymeric structure. The carboxyl\u00adate group is twisted away from the attached pyridine ring by 11.4\u2005(3)\u00b0.In the title polymeric compound, [Pb(C N,N-diethyl\u00adnicotinamide, see: Bigoli et al. ] = 0.019wR(F2) = 0.055S = 1.241542 reflections90 parameters1 restraintH-atom parameters constrainedmax = 1.53 e \u00c5\u22123\u0394\u03c1min = \u22120.75 e \u00c5\u22123\u0394\u03c1Absolute structure: Flack 1983, 728 FriFlack parameter: 0.497 (14)APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536812035647/xu5606Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ligands bridge the CuII atoms, leading to the formation of a two-dimensional network parallel to (100). The structure is further stabilized by O\u2014H\u22efN hydrogen bonds within the network.In the title compound, [Cu(C DOI: 10.1107/S1600536812015176/hy2532Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Rh and B atoms lie on this axis and all others are in general positions. In the crystal, two unique C\u2014H\u22efF hydrogen-bonding inter\u00adactions are present, which involve both imidazolin-2-yl\u00adidene H atoms. They form two separate C(5) motifs, the combination of which is a rippled hydrogen-bonded sheet structure in the ab plane.In the title compound, [Rh(C N-heterocyclic carbene rhodium and iridium complexes, see: Chianese et al. (C7H12N2)2]BF4 = 0.020 wR(F 2) = 0.059 S = 1.13 14018 reflections218 parametersAll H-atom parameters refinedmax = 1.55 e \u00c5\u22123 \u0394\u03c1min = \u22120.92 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536811049890/fj2478Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811049890/fj2478Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N-containing ring is in a chair conformation, while the other two non-planar rings are in a half-boat conformation. In the crystal, mol\u00adecules are linked by O\u2014H\u22efN inter\u00adactions into a C(8) chain along [100].In the title compound, C DOI: 10.1107/S1600536811037226/bx2370Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [SnCl4(C14H14OS)2], exists in a cis-SnCl4O2 octa\u00adhedral geometry. Of the four Cl atoms, two are close to adjacent S atoms [Cl\u22efS = 3.320\u2005(1) and 3.376\u2005(1)\u2005\u00c5]; the Sn\u2014Cl bonds involving these two Cl atoms are longer than the other two Sn\u2014Cl bonds.The six-coordinate Sn DOI: 10.1107/S1600536811015704/bt5525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl groups are disordered over two equally occupied positions. In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into infinite chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811040967/bq2308Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040967/bq2308Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It has an E conformation with respect to the azomethine double bond and a Z conformation about the amide C=N bond. The CuII atom has a slightly distorted square-pyramidal coordination geometry. The crystal packing involves inter\u00admolecular C\u2014H\u22efO, C\u2014H\u22efN and C\u2014H\u22ef\u03c0 and two types of \u03c0\u2013\u03c0 inter\u00adactions, with centroid\u2013centroid distances of 3.9958\u2005(10) and 3.7016\u2005(13)\u2005\u00c5.The binuclear molecule of the title compound, [Cu DOI: 10.1107/S1600536812031467/fj2577Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The [Co(CN)6]3\u2212 anion exhibits an octa\u00adhedral geometry. In the structure, cations and anions are linked alternatively through O\u2014H\u22efO, O\u2014H\u22efN, N\u2014H\u22efO and N\u2014H\u22efN hydrogen bonds, \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.523\u2005(2)\u20134.099\u2005(2)\u2005\u00c5] and van der Waals forces, forming a three-dimensional supra\u00admolecular network.The structure of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813003632/rz5042Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the thienyl groups and the bound THF are disordered with 0.5:0.5 occupancy. The free THF is disordered around the threefold axis.In the mononuclear title compound, [Tb(C DOI: 10.1107/S160053681104623X/nc2251Isup2.cdx Supplementary material file. DOI: 10.1107/S160053681104623X/nc2251Isup3.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The phosphoryl group and the NH unit are anti with respect to one another. The dihedral angle between the mean planes of the benzene rings is 31.08\u2005(8)\u00b0. The crystal packing is stabilized by N\u2014H\u22efO hydrogen bonds, forming an extended chain parallel to the b axis.In the title compound, C DOI: 10.1107/S1600536811015832/jj2084Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry of both five-coordinate PbIIatoms is distorted \u03a8-octa\u00adhedral; if another two longer inter\u00admolecular Pb\u22efO inter\u00adactions [at 2.955\u2005(1) and 3.099\u2005(1)\u2005\u00c5] are considered, the geometry is a distorted \u03a8-square anti\u00adprism.The four cupferronate ions in the dinuclear title compound, [Pb DOI: 10.1107/S1600536811006775/bt5480Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1,3-bis\u00ad(benz\u00adimid\u00adazol-2-yl)-2-oxapropane ligand is tridentate. In the crystal structure, inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the components into a three-dimensional network. The O atoms of one of the nitro groups are disordered over two sets of sites with refined occupancies of 0.577\u2005(11) and 0.423\u2005(11).In the title complex, [Mn(C DOI: 10.1107/S1600536810030357/lh5083Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pd\u2014P bond lengths are 2.3387\u2005(11)\u2005\u00c5, as the Pd atom lies on an inversion point, while the Pd\u2014Cl bond lengths are 2.2950\u2005(12)\u2005\u00c5.The title compound, R3P)2PdCl2 compounds with consanguinities, see: Muller & Meijboom 2] = 0.051wR(F2) = 0.111S = 1.193747 reflections198 parameters40 restraintsH-atom parameters constrainedmax = 1.54 e \u00c5\u22123\u0394\u03c1min = \u22121.49 e \u00c5\u22123\u0394\u03c1APEX2 I, global. DOI: 10.1107/S160053681201478X/hb6729Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SCN\u2212 anions bridge the CdII cations into a layer structure parallel to (100). A weak intra\u00admolecular C\u2014H\u22efN inter\u00adaction occurs. The layers are further assembled into a three-dimensional supra\u00admolecular structure via classical O\u2014H\u22efO hydrogen bonds.In the title compound, [Cd(NCS) DOI: 10.1107/S1600536812014730/xu5497Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Strong inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adactions consolidate the crystal packing. The F atoms of the anion are disordered over two positions in a 0.5233\u2005(3):0.4767\u2005(3) ratio.In the title compound, [Cu(CH DOI: 10.1107/S1600536810024359/ez2212Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination around the Rh atom shows a slightly distorted square-planar arrangement.In the title compound, DOI: 10.1107/S1600536811038505/mw2021Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing features inter\u00admolecular C\u2014H\u22efN, N\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536811017107/kp2327Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811017107/kp2327Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810047628/zq2074Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by inter\u00admolecular N\u2014H\u22efS hydrogen bonds with set graph-motif C(4) along [010]. N\u2014H\u22ef Cl hydrogen bonds with graph-set motif D(2) and D 3 3(10) link cations and anions.In the title salt, [Sn(CH DOI: 10.1107/S1600536810038705/bx2306Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials: interactive version of Fig. 1 Enhanced figure:"} {"text": "The cations and anions are linked in a complex three-dimensional framework by three types of strong hydrogen bonds , which form various ring and chain patterns of up to the ternary graph-set level.In the title compound, (C DOI: 10.1107/S1600536810045435/nk2068Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methyl groups in para positions are disordered over two equally occupied positions. An intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs. The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO hydrogen bonds which link the mol\u00adecules into chains running along the b axis.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811018770/bt5550Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811018770/bt5550Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex anion contains an FeIII atom within a distorted octahedral FeN2O4 coordination geometry. N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding, offset \u03c0\u2013\u03c0 stacking [centroid\u2013centroid distance = 3.805\u2005(13)\u2005\u00c5] and C=O\u22ef\u03c0 inter\u00adactions [3.494\u2005(14)\u2005\u00c5] generate a three-dimensional network structure.In the title compound, (C DOI: 10.1107/S1600536812001493/rz2696Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dimethyl\u00adamino groups are orientated at 41.80\u2005(7) and 36.43\u2005(7)\u00b0 with respect to the borazine ring. The nitro\u00adoxy group is almost normal to the borazine ring [dihedral angle = 85.33\u2005(14)\u00b0]. The methyl C atom trans to the NO3 group is displaced by \u22120.512\u2005(3)\u2005\u00c5 from the ring plane, whereas the two ortho-methyl C atoms are displaced by 0.239\u2005(3) and 0.178\u2005(3)\u2005\u00c5.In the title compound, C DOI: Click here for additional data file.10.1107/S1600536813007484/hb7055Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813007484/hb7055Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The uncoordinated carboxyl\u00adate O atom forms a weak contact with the Sn atom, with an Sn\u22efO separation of 2.962\u2005(2)\u2005\u00c5.In the title compound, [Sn(C DOI: 10.1107/S1600536811020496/bh2352Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The (diphenyl\u00adphosphanylmeth\u00adyl)diphenyl\u00adphos\u00adphane sulfide ligand coordinates to the CuI atom through one S and one P atom, forming a stable five-membered chelate ring. The P atom of the PF6\u2212 anion also lies on a twofold rotation axis.In the title compound, [Cu(C For rel al. 1999; Sivasan al. 2004.25H22P2S)2]PF6 = 0.053wR(F2) = 0.152S = 1.035535 reflections290 parametersH-atom parameters constrainedmax = 0.41 e \u00c5\u22123\u0394\u03c1min = \u22120.55 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S160053681202346X/hy2551Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit consists of three aggregates of the empirical formula. The tetra\u00adanionic bimetallic molybdenum(VI) cluster is unprecedented and contains two sulfate and one oxide bridges. This structure constitutes the first example of a non-polymeric compound with terminal oxide, sulfate and halide ligands bonded to the same metal. The hydrogen bonds connecting the pyridinium cations to the molybdenum clusters are diverse, varying from strong and directional interactions to bifurcated bonds with a subsequent loss of directionality.The title salt, (C DOI: 10.1107/S1600536810028254/tk2692Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mean bond lengths in the biferrocene unit are Fe\u2014C = 2.048\u2005(10)\u2005\u00c5 and C\u2014C = 1.427\u2005(8)\u2005\u00c5 within the cyclo\u00adpenta\u00addienyl rings. The B\u2014N bond lengths of the BH3 protected amine is 1.631\u2005(3)\u2005\u00c5. The inter\u00adplanar angle between the two connected cyclo\u00adpenta\u00addienyl rings is 54.29\u2005(8)\u00b0 and the corresponding Fe\u2014Cg\u2014Cg\u2014Fe torsion angle is \u221252.5\u00b0. The conformation of the mol\u00adecule is stabilized by an intra\u00admolecular C\u2014H\u22efBr inter\u00adaction.The title structure, [Fe DOI: 10.1107/S1600536811049270/bq2322Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Cd2+ cation is coordinated by four N atoms of one terminal N-bonded thio\u00adcyanate anion and one bis\u00ad(3-amino\u00adprop\u00adyl)amine co-ligand, and by two O atoms of two symmetry-related sulfate anions, defining a slightly distorted octa\u00adhedral coordination polyhedron. Each two Cd2+ cations are connected into dimers, which are located on centres of inversion and which are further \u03bc-1,1:3,3-bridged via the sulfate anions into polymeric zigzag chains along the a axis.The asymmetric unit of the title compound, {[Cd DOI: 10.1107/S1600536811031163/bt5596Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Furthermore, two symmetric TbO9 polyhedra share their edges, forming Tb2O16 dimers, which are linked by adipate bridges into a layered structure. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy factors of 0.622\u2005(9) and 0.378\u2005(9). The structure also contains a disordered mol\u00adecule of water of hydration, lying close to a special position, with partial occupancy. In the title terbium coordination polymer, {[Tb DOI: 10.1107/S1600536811007719/pv2390Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Mol\u00adecules are packed in positions of least steric hindrance, with the phosphane ligands positioned above and below the Rh\u2013acetyl\u00adacetonate backbone.The title compound, [Rh(C DOI: 10.1107/S1600536811050483/mw2037Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The VV atom is five-coordinated by N,O,O\u2032-donor atoms of the Schiff base ligand, one meth\u00adoxy O atom and one oxide O atom, forming a square-pyramidal geometry.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811050173/qm2035Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by C\u2014H\u22efN and C\u2014H\u22efS hydrogen bonds.In the title compound, [CdI DOI: 10.1107/S1600536810028114/wm2373Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ferrocenyl rings are skewed by 6.7\u2005(4)\u00b0 from the ideal eclipsed conformation. The inter\u00adplanar angle between the plane of the substituted cyclo\u00adpenta\u00addienyl ring and that of the imidazole ring is 89.9\u2005(4)\u00b0. The crystal packing is stabilized by C\u2014H\u22efF hydrogen bonds.The crystal structure of the title compound, [Fe(C DOI: 10.1107/S1600536812008719/fj2522Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One K+ ion is coordinated by seven O atoms from the sulfonate and phenolic hy\u00addroxy groups of six 4,6-dihy\u00addroxy\u00adbenzene-1,3-disulfonate (L 2\u2212) anions while the other K+ ion is coordinated by six O atoms from the sulfonate and phenolic hy\u00addroxy groups of five L 2\u2212 anions and one water O atom. The L 2\u2212 anion exhibits chelating\u2013bridging multidentate coordination to potassium, resulting in the formation of a cross-linked three-dimensional network.In the title salt, [K DOI: 10.1107/S1600536811047210/vm2127Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1-[(4-methyl\u00adphen\u00adyl)imino\u00admeth\u00adyl]-2-naphtho\u00adlate ligands are coordinated in a trans arrangement with respect to the N and O atoms.In the title complex, [Cu(C DOI: 10.1107/S1600536810030667/lh5095Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two acetyl\u00adacetonate ligands, related by a centre of symmetry, are coordinated to the central metal atom in a square-planar configuration while the methyne C atoms of the acetyl\u00adacetonate ligands, ca 3.02\u2005\u00c5 away, are orthogonal to this plane at the metal site.The title complex, [Cu DOI: 10.1107/S160053681002756X/su2192Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atom adopts a distorted tetra\u00adhedral coordination geometry. In the crystal, complex mol\u00adecules are linked into columns parallel to [101] by \u03c0\u2013\u03c0 stacking inter\u00adactions, with centroid\u2013centroid distances of 3.558\u2005(2)\u2005\u00c5.In the title compound, [Cd DOI: 10.1107/S1600536811042334/rz2634Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is controlled by C\u2014H\u22efO hydrogen bonding and \u03c0\u2013\u03c0 stacking inter\u00adactions involving the benzene rings, with a centroid\u2013centroid distance of 3.4220\u2005(1)\u2005\u00c5.In the title compound, (C DOI: 10.1107/S160053681002893X/pv2307Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The indeno\u2013quinoxaline ring system [86.44\u2005(5)\u00b0], the methyl\u00adphenyl ring [86.06\u2005(7)\u00b0] and the ferrocene rings [82.00\u2005(7) and 83.95\u2005(9)\u00b0] are almost perpendicular to the pyrrolidine ring. The two cyclopentadienyl rings adopt an eclipsed conformation. The crystal structure features C\u2014H\u22efN inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S1600536812036951/bt6825Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812036951/bt6825Isup4.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Adjacent Sn atoms are bridged by the two O atoms of the carboxylate ligand, forming a chain structure along the a-axis direction.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S160053681104918X/kp2369Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HgII ions are four-coordinated in a distorted tetra\u00adhedral geometry, the coordination demand being satisfied either by four bridging iodide ligands or by three iodide ligands and a thio\u00adcarbonyl S atom. Due to the bridging nature of the dithione ligand, the coordination polymer has a two-dimensional structure, built up of undulated layers parallel to (001). There is an inversion center at the mid-point of the central C=C double bond.The title compound, poly[(\u03bc DOI: 10.1107/S1600536811006556/fi2103Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CrC4P2 coordination geometry at the Cr atom is distorted octa\u00adhedral, with a P\u2014Cr\u2014P bite angle of 80.27\u2005(1)\u00b0.The title compound, [Cr(C DOI: 10.1107/S1600536810043679/cv2781Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond lengths and bond angles are within normal ranges. The dihedral angle between the least-squares planes of the aromatic rings within each ligand is 82.76\u2005(17)\u00b0.In the title Schiff base complex, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812043930/ds2215Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the fused ring system and the pyridinone ring in the cation is 6.91\u2005(6)\u00b0. In the crystal, bifurcated N\u2014H\u22ef and O\u2014H\u22efBr hydrogen bonds and S\u22efO contacts [S\u22efO = 3.0526\u2005(10)\u2005\u00c5] connect the components into a three-dimensional network. The closest centroid\u2013centroid distance between two \u03c0-systems is 3.7420\u2005(7)\u2005\u00c5 between two benzene rings.The title hydrated molecular salt, C DOI: 10.1107/S1600536811022847/yk2012Isup3.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022847/yk2012Isup4.cdx Supplementary material file. DOI: 10.1107/S1600536811022847/yk2012Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak C\u2014H\u22efO hydrogen bonds and weak Ag\u22efAg inter\u00adactions [3.2628\u2005(5)\u2005\u00c5] are observed.In the title compound, [Ag(C DOI: 10.1107/S1600536812015218/lh5431Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812015218/lh5431Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bond lengths at iridium show the expected trans influence, with Ir\u2014N trans to C being appreciably longer than trans to N. The chelate rings are mutually perpendicular to a reasonable approximation [interplanar angles ranging from 77.79\u2005(6) to 83.93\u2005(7)\u00b0]. All ligands are approximately planar; the maximum inter\u00adplanar angles within ligands are ca 12\u00b0. One CDCl3 solvent molecule is severly disordered and was excluded from the refinement.In the title compound, [Ir(C DOI: 10.1107/S1600536810038596/bt5363Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "While four of the HPAA ligands coordinate to just one Tm atom, the remaining two HPAA ligands bridge the two Tm atoms. In the crystal, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the mol\u00adecules into a three-dimensional network.In the title dinuclear complex, [Tm DOI: 10.1107/S1600536810043898/bt5387Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N atom of the ammonium group is displaced by 1.182\u2005(2)\u2005\u00c5 from the plane of the substituted cyclo\u00adpenta\u00addienyl (Cp) ring towards the Fe atom, whereas the C atom attached to the same Cp ring is slightly below this plane by \u22120.128\u2005(2)\u2005\u00c5. These deviations might result from weak agostic interactions between the two H atoms of the CH2 group and the Fe atom.The title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812046053/rn2109Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812011786/bt5848Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The N-heterocycle-chelated PbII atom exists in a distorted octa\u00adhedral geometry owing to two long Pb\u22efBr inter\u00adactions [2.9562\u2005(5) and 3.2594\u2005(5)\u2005\u00c5]. These result in a zigzag chain running along the c axis. The lone pair is stereochemically inactive.In the title compound, [PbBr DOI: 10.1107/S160053681201940X/bt5905Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The intra\u00admolecular O\u2014H\u22efO hydrogen bond is highly strained due to the mol\u00adecular geometry and, as a result, is much shorter than expected. Inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efO inter\u00adactions are also observed.In the title complex, [Cu(C DOI: 10.1107/S1600536811016126/br2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are no hydrogen bonds present, and only very weak \u03c0\u2013\u03c0 inter\u00adactions are observed [centroid\u2013centroid distance = 3.985\u2005(4)\u2005\u00c5], which connect neighbouring tetra\u00adnuclear units into a chain motif along the b axis.In the title centrosymmetric tetra\u00adnuclear complex, [Cu DOI: 10.1107/S1600536811026468/su2284Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dimers are bridged by N,N,N\u2032,N\u2032-tetra\u00admethyl\u00adethylenediamine ligands, which act in an unusual extended non-chelating coordination mode. This gives a one-dimensional coordination polymer that extends parallel to the a-axis direction.The title compound, [Na DOI: Click here for additional data file.10.1107/S1600536812045126/pk2451Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056\u2005\u00c5) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3\u2005(1)\u00b0. No significant C\u2014H\u22efO inter\u00adactions are observed between the methyl and phenyl H atoms and the carbonyl O atom.The title compound, [Ru(C DOI: 10.1107/S1600536810046064/bv2166Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecules assume an approximate propellar shape, with the three aromatic rings being bent with respect to the plane formed by the C atoms that are connected to the methine C atom .The title compound, C DOI: 10.1107/S1600536812003698/bt5804Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812003698/bt5804Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The PdII atom, lying on an inversion center, has a square-planar coordination geometry, with Pd\u2014S bond lengths of 2.276\u2005(3) and 2.294\u2005(3)\u2005\u00c5.In the title complex, (C DOI: 10.1107/S1600536811053402/hy2494Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine rings of the Schiff base is 55.58\u2005(14)\u00b0. The F atoms of the tetra\u00adfluoridoborate anion are disordered over two sets of sites with occupancies of 0.614\u2005(3) and 0.386\u2005(3). In the crystal, the components are linked by C\u2014H\u22efF inter\u00adactions.In the title compound, [Cu(NCS)(C For a r al. 2010. For rel al. 1997; Chattop al. 2006; Rahaman al. 2005. 17H20N4)]BF4 = 0.039 wR(F 2) = 0.107 S = 1.03 5059 reflections310 parameters56 restraintsH-atom parameters constrainedmax = 0.35 e \u00c5\u22123 \u0394\u03c1min = \u22120.28 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811021040/hb5899Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the substituted cyclo\u00adpenta\u00addienyl ring and the pyrimidinyl ring is 12.02\u2005(1)\u00b0. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.In the title compound, [Fe(C DOI: 10.1107/S1600536814004917/fj2665Isup2.hklStructure factors: contains datablock(s) I. DOI: 989734CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "IV atom in the title ammonium stannate, (Et3NH)[Sn(C5H3N2O2)Cl4], is chelated by an pyrazine-2-carboxyl\u00adate ligand and exists in a cis-SnCl4NO octa\u00adhedral geometry. The cation and the anion are linked by an N\u2014H\u22efN hydrogen bond.The Sn DOI: 10.1107/S1600536811016473/qk2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Extensive hydrogen bonds establish a layered network structure extending parallel to (001).In the three-dimensional tetra\u00adchloro\u00adphthalate-bridged title complex [Er(C DOI: 10.1107/S1600536812016923/bt5856Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One presents a trigonal-bipyramidal coordination geometry defined by five O atoms , while the other lies on an inversion centre and exists in a slightly distorted octa\u00adhedral coordination geometry defined by six O atoms (two from two carboxyl\u00adate groups of two BTC ligands and the others from four water mol\u00adecules). A three-dimensional framework is further strengthened via O\u2014H\u22efO hydrogen-bonding inter\u00adactons.In the title compound, {[Zn DOI: 10.1107/S160053681101436X/zk2004Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Pseudo-octa\u00adhedrally coordinated HgII cations are chloride-bridged via a crystallographic inversion centre leading to different Hg\u2014Cl bonds (short and long) and linked by other Cl atoms via translation along the a axis. The quinazoline ligands connect the Hg\u2014Cl\u2014Hg\u2014Cl chains by N and O atoms along the b axis, forming the two-dimensional network structure. The crystal structure is stabilized by weak non-classical C\u2014H\u22efCl hydrogen bonds and aromatic \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.942\u2005(4) and 3.621\u2005(4)\u2005\u00c5].In the crystal structure of the title two-dimensional network, [HgCl DOI: 10.1107/S1600536811022471/si2358Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each L ligand also lies across an inversion center and bridges two CuII ions, forming a polymeric chain running along the [101] direction. The three O atoms of the nitrate group are disordered over two positions in a 3:2 ratio.In the title coordination polymer, [Cu(NO DOI: 10.1107/S1600536811020605/xu5198Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The central CoII ion is coordinated by four water mol\u00adecules and two 2-methyl\u00adimidazole ligands, resulting in a trans-octa\u00adhedral coordination geometry. The existence of strong N\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding inter\u00adactions gives rise to a three-dimensional structure.In the title complex, [Co(C DOI: 10.1107/S160053681104548X/fj2459Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both of the CoII ions are coordinated in a distorted octa\u00adhedral geometry. Four L ligands bind to each pair of CoII atoms in a plane, two of which bridge the two CoII atoms as bidentate groups while the other two coordinate to a single CoII atom in a monodentate mode. Two half-mol\u00adecules of 4,4\u2032-bipyridine coordinate the CoII atoms from the upside and underside. The packing features extensice O\u2014H\u22efO hydrogen bonding.The title coordination compound, {[Co(C DOI: 10.1107/S1600536811012475/om2417Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810047501/nc2197Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II complex, [Pd(CH3)Cl(C26H22NP)], the PdII atom is coordinated in a slightly distorted square-planar geometry by the imino N and phosphane P atoms of the ligand, by one chloride ion and by a methyl ligand. The methyl group is trans to the N atom of the ligand.In the title Pd Cl(C26H22NP)] = 0.034 wR(F 2) = 0.091 S = 1.03 5809 reflections281 parametersH-atom parameters constrainedmax = 1.21 e \u00c5\u22123 \u0394\u03c1min = \u22120.62 e \u00c5\u22123 \u0394\u03c1 APEX2 I, global. DOI: 10.1107/S1600536811040074/im2317Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere of the CdII atom is built of two symmetry-equivalent N atoms of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two symmetry-equivalent I atoms, thus forming a distorted tetra\u00adhedral geometry. Inversion-related mol\u00adecules inter\u00adact along the c-axis direction by \u03c0\u2013\u03c0 stacking inter\u00adactions between the phenanthroline ring systems, with centroid\u2013centroid distances of 3.707\u2005(9) and 3.597\u2005(10)\u2005\u00c5.In the title compound, [CdI DOI: 10.1107/S1600536811044667/pk2353Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two CdII atoms have quite different coordination environments: one is octa\u00adhedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent CdII cations are inter\u00adconnected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668\u2005(13):0.332\u2005(13) site-occupancy ratio. The asymmetric unit of the crystal structure of the title compound, [Cd DOI: 10.1107/S160053681104894X/vn2017Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2), Cs1 (222), Cs2 (m2m), Pd1 (.m.), Pd2 (2mm), Se1 (m..), and Se2 (1). This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexa\u00adgon. These, in turn, edge-share with [USe6] trigonal\u2013prismatic units, forming an extended layer parallel to (010). The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square anti\u00adprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexa\u00adgonal.Dicaesium uranium(IV) tripalladium(II) hexa\u00adselenide, Cs DOI: 10.1107/S1600536810053924/wm2437Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each LaIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, one bidentate chelating carboxyl\u00adate group and four bridging carboxyl\u00adate groups in a distorted LaN2O7 monocapped square-anti\u00adprismatic geometry.In the centrosymmetric binuclear title complex, [La DOI: 10.1107/S1600536811036117/wm2525Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Selected geometric parameters include: Rh\u2014P = 2.3430\u2005(8)\u2005\u00c5, Rh\u2014Cl = 2.434\u2005(3)\u2005\u00c5, Rh\u2014C = 1.722\u2005(8)\u2005\u00c5, P\u2014Rh\u2014P = 180.00\u2005(3)\u00b0, P\u2014Rh\u2014Cl = 95.40\u2005(7)\u00b0, 84.60\u2005(7)\u00b0 and Rh\u2014C\u2014O = 177.9\u2005(8)\u00b0.The title compound, DOI: 10.1107/S1600536812012421/hp2033Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The latter ligand is not involved in formation of the title complex. There are three different NiII atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H2O)6]2+ cation and the trinuclear {[Ni(pydc)2]2-\u03bc-Ni(H2O)4}2\u2212 anion are centrosymmetric. All NiII atoms exhibit an octa\u00adhedral coordination geometry. Various inter\u00adactions, including numerous O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds and C\u2014O\u22ef\u03c0 stacking of the pyridine and carboxyl\u00adate groups , are observed in the crystal structure.The title compound, [Ni(H DOI: 10.1107/S1600536810028977/gk2279Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title diorganotin dithio\u00adcarbamate, [Sn(C4H9)2(C15H14NS2)Cl], is penta\u00adcoordinated by an asymmetrically coordinating dithio\u00adcarbamate ligand, a Cl atom and two C atoms of the Sn-bound tert-butyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter\u00admediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former.The Sn DOI: 10.1107/S1600536811006866/pk2305Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the hy\u00addroxy H atom is equally disordered over two orientations, and links with an adjacent mol\u00adecule via an O\u2014H\u22efO hydrogen bond in both cases. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is also a feature of the crystal structure. In the title compound, C DOI: 10.1107/S1600536811013304/xu5182Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked by N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds.In the title compound, [Gd(C DOI: 10.1107/S1600536810020520/hb5454Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are no significant inter\u00admolecular inter\u00adactions in the crystal except for some weak C\u2014H\u22efCl contacts, which in turn indicates that the crystal packing is determined predominantly by electrostatic inter\u00adactions between the ionic constituents.The mol\u00adecular geometry of the complex cation in the title structure, [(\u03bc-Cl) al. 1999. J. Orga DOI: 10.1107/S160053681103621X/su2311Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond lengths and angles (C\u2014Fe\u2014Fe and Fe\u2014S\u2014Fe) are within expected ranges. The S\u22efS distance [2.9069\u2005(12)\u2005\u00c5] and the dihedral angle between two Fe\u2014S\u2014Fe planes [78.5\u2005(3)\u00b0] of the butterfly-shaped Fe2S2 core are enlarged compared with related bridged dithiol\u00adate diiron analogues. The calculated 4-benzothia\u00adzolebenzyl best planes are almost parallel [dihedral angle = 3.7\u2005(7)\u00b0].The title compound, [Fe DOI: 10.1107/S1600536812007581/vm2158Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, symmetry-related mol\u00adecules are linked by N\u2014H\u22efO hydrogen bonds, generating a three-dimensional network.In the title complex, [Ni(C DOI: 10.1107/S1600536810041577/lh5153Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A short Cd\u22efN contact [2.890\u2005(3)\u2005\u00c5] to the monodentate sulfadiazinate ion also occurs. The dihedral angles between the planes of the aromatic rings of the anions are 86.81\u2005(14) and 68.65\u2005(14)\u00b0. The crystal structure features inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds.In the title compound, [Cd(C DOI: 10.1107/S1600536811019635/hb5888Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tridentate acetohydrazide ligand chelates in a meridional fashion. The chloride ligand in the axial position forms a long Cu\u2014Cl distance of 2.4892\u2005(9)\u2005\u00c5. In contrast, the Cu\u2014Cl distance from the equatorial chloride ligand is much shorter [2.2110\u2005(7)\u2005\u00c5]. Inter\u00admolecular N\u2014H\u22efCl and C\u2014H\u22efCl hydrogen bonds link the complexes into a three-dimensional network.In the title compound, [CuCl DOI: 10.1107/S1600536810053195/pv2372Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The conformation of 1,3-diazepane ring is close to a twisted chair. One intra\u00admolecular and three inter\u00admolecular N\u2014H\u22efO hydrogen bonds stabilize the mol\u00adecular conformation and the crystal structure, respectively.The title compound, C DOI: 10.1107/S1600536810049676/bx2320Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging groups form a polymeric chain substructure extending along the c axis, the chains being connected by coordinated-water O\u2014H\u22efN and O\u2014H\u22efOcarboxyl\u00adate hydrogen bonds into a three-dimensional framework structure.In the title complex, [Ca(C DOI: 10.1107/S1600536810039401/zs2067Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "E)-4-chloro-2-[(pyridin-2-yl\u00adimino)\u00admeth\u00adyl]phenol was reacted with InCl3\u00b74H2O, generating the title molecular salt, (C5H7N2)3[InCl6]. The octa\u00adhedral hexa\u00adchlorido\u00adindate(III) anion is located on an inversion centre, and one half of the anion and two crystallographically independent cations form the asymmetric unit. One of the cations is located on a twofold rotation axis and its intra-ring C and N atoms simulate this symmetry by exchanging their positions in statistical disorder. In the crystal, weak N\u2014H\u22efCl hydrogen bonds and two types of \u03c0\u2013\u03c0 interactions with centroid\u2013centroid separations of 4.047\u2005(3) and 4.202\u2005(3)\u2005\u00c5 are observed.The Schiff base ( DOI: 10.1107/S1600536811043285/kp2354Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043285/kp2354Isup3.cdx Supplementary material file. DOI: 10.1107/S1600536811043285/kp2354Isup4.mol Supplementary material file. DOI: 10.1107/S1600536811043285/kp2354Isup5.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The resulting graph-set descriptor of this ring system is R22(10). The nitrate counter-anions connect the dicationic dimers via N\u2014H\u22efO hydrogen bonds, forming two-dimensional networks in the bc plane.In the crystal of the title salt, C DOI: 10.1107/S1600536813027694/lh5656Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813027694/lh5656Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II complexes based on different organic carb\u00adoxy\u00adlic acids are described by Zhou et al. (C12H8N2)] = 0.029 wR(F 2) = 0.078 S = 1.04 2546 reflections159 parametersH-atom parameters constrainedmax = 0.32 e \u00c5\u22123 \u0394\u03c1min = \u22120.34 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811022392/vn2012Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment is formed by two 5,7-dimethyl-1,2,4-triazolopyrimidine (dmtp) ligands, coordinated through the N atom in position 3, and two cyanate anions inter\u00adacting by their N atoms. Supra\u00admolecular dimers are generated by stacking inter\u00adactions between the pyrimidine rings of two ligands related by an inversion center [centroid\u2013centroid distance = 3.5444\u2005(18)\u2005\u00c5].In the title complex, [Zn(NCO) DOI: 10.1107/S1600536811005769/su2253Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions are disordered each over two sets of sites, with an occupancy ratio of 0.617\u2005(6):0.383\u2005(6). The distances from the Fe atoms to the centroids of the unsubstituted and substituted cyclo\u00adpenta\u00addienyl (Cp) rings are 1.645\u2005(1)/1.657\u2005(1) and 1.644\u2005(1)/1.647\u2005(1)\u2005\u00c5. The dihedral angles between the two Cp rings are 2.49\u2005(3) and 1.45\u2005(4)\u00b0 in the two ferrocenyl groups of the cations.The asymmetric unit of the title complex, [Fe(C DOI: 10.1107/S1600536812001766/hy2506Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A three-dimensional network is formed in the crystal structure by multiple O\u2014H\u22efO hydrogen bonds between the coordin\u00adating water molecules and the free carboxylate groups.In the title compound, [Mn(C DOI: 10.1107/S1600536812014602/bt5868Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811043972/ff2038Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The framework of the structure is built up from [FeO5] trigonal bipyramids and [MO6] octa\u00adhedra sharing corners and edges and connected by two types of bridging PO4 tetra\u00adhedra. The K+ cations are nine-coordinated and are situated in channels running along [101].KMg DOI: 10.1107/S1600536812023975/wm2629Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "H-1,5-benzodiazepin-2(3H)-one reacts in the pres\u00adence of a concentrated aqueous solution of sodium hydroxide and a quaternary ammonium salt in benzene with propargyl bromide, affording the title benzodiazepine derivative, C18H14N2O. In the mol\u00adecule, the mean plane of the propargyl substituent is almost perpendicular with that of the amide group [dihedral angle\u00a0= 87.81\u2005(8)\u00b0]. In the crystal, the molecules are linked by C\u2014H\u22efO and C\u2014H\u22efN inter\u00adactions.4-Phenyl-1 DOI: 10.1107/S1600536811027371/tk2762Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027371/tk2762Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chelating Schiff base anions define a square-planar N2O2 donor set. The nearly perpendicular orientation of the naphthyl residues of the chelate ring [dihedral angle = 82.12\u2005(12)\u00b0] precludes the CuII centre from additional coordination. In the refinement, the naphthyl rings were found to be disordered over two positions.; the major component has a site occupancy of 0.667\u2005(4).The title complex, [Cu(C II Schiff base compounds, see: Safaei et al. 2] = 0.074wR(F2) = 0.157S = 1.102888 reflections240 parameters69 restraintsH-atom parameters constrainedmax = 0.95 e \u00c5\u22123\u0394\u03c1min = \u22121.09 e \u00c5\u22123\u0394\u03c1CrysAlis PRO used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536812004989/pv2510Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "An alternative description of the metal coordination geometry, if long Cu\u2014O contacts to the bonded nitrate anions are considered, is an extremely distorted cis-CuN2O4 octa\u00adhedron. The complete L ligand is generated by crystallographic twofold symmetry and connects the metal ions into infinite chains propagating in [10B) ring is 51.12\u2005(11)\u00b0 and the dihedral angle between the B ring and the central ring is 19.45\u2005(13)\u00b0.In the title one-dimensional coordination polymer, [Cu(NO DOI: 10.1107/S1600536811013596/hb5843Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The doubly-deprotonated Schiff base O,N,O\u2032-chelates to the VV atom; two metal atoms are bridged by the methoxide units. The coordination geometry is a distorted octa\u00adhedron. Weak inter\u00admolecular C\u2014H\u22efN hydrogen bonding is present in the crystal structure. The bromo\u00adphenyl unit is disordered over two positions, with the major component being in a 0.909\u2005(6) proportion.The dinuclear compound, [V For the isotypic compound that has chlorine in place of bromine, see: Sarkar & Pal 2009. 2(C12H11BrN2O2)2(CH3O)2O2] = 0.023 wR(F 2) = 0.060 S = 0.99 3400 reflections221 parameters44 restraintsH-atom parameters constrainedmax = 0.96 e \u00c5\u22123 \u0394\u03c1min = \u22120.32 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811021647/xu5231Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the complex exhibits a zigzag chain structure running parallel to the c axis. An intra\u00adchain C\u2014H\u22efO hydrogen bond is observed.In the polymeric title coordination compound, [Sn(C DOI: 10.1107/S1600536811049245/rz2663Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds lead to a three-dimensional supra\u00admolecular network. Intra\u00admolecular O\u2014H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the benzene rings and between the benzene and triazole rings [centroid\u2013centroid distances = 3.657\u2005(1) and 3.752\u2005(1)\u2005\u00c5] are observed.In the title compound, [Cu(C DOI: 10.1107/S1600536811018356/hy2429Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit comprises one Eu3+ cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions . The Eu3+ cation is eight-coordinated in a distorted dodeca\u00adhedral geometry. The crystal structure features O\u2014H\u22efO hydrogen bonds.The three-dimensional coordination polymer, [Eu DOI: 10.1107/S1600536812029546/rk2364Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "III atom in the title complex, [Mn(C11H10N3O)2]NO3, is coordinated by the two tridentate (2-pyrid\u00adyl)(2-pyridyl\u00adamino)\u00admethano\u00adlate ligands, forming a six-coordinate environment. The four pyridyl N atoms constitute the equatorial plane on which the manganese(III) ion lies; the coordination plane suffers a slight distortion as indicated by the average plane deviation of 0.058\u2005\u00c5. The methano\u00adlate O atoms occupy the axial positions. The coordination geometry is thus octa\u00adhedral. In the title compound, the cations are linked by nitrate anions via N\u2014H\u22efO hydrogen bonds to form one-dimensional chains. Moreover, the one-dimensional structure is stabilized by inter\u00admolecular edge-to-face aromatic \u03c0\u2013\u03c0 inter\u00adactions with a center-of-inversion at a distance of ca 4.634\u2005\u00c5.The Mn DOI: 10.1107/S1600536811014371/zk2005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average Ru\u2014S bond length is 2.41\u2005(1)\u2005\u00c5 and the average S\u2014Ru\u2014S bite angle is 81.13\u2005(19)\u00b0.In the title complex, [Ru(C DOI: Click here for additional data file.10.1107/S1600536813014141/hy2626Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The packing of the structure involves weak \u03c0\u2013\u03c0 inter\u00adactions between the pyridyl and benzene rings of neighbouring ppaBr ligands [centroid\u2013centroid distance = 3.928\u2005(2)\u2005\u00c5] and inter\u00adactions between the Br atom on the ppaBr ligand and the hfac ligand [Br\u22efC = 3.531\u2005(2)\u2005\u00c5].In the title complex, [Co(C DOI: 10.1107/S1600536810032757/zs2056Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A weak intra\u00admolecular C\u2014H\u22efO inter\u00adaction is noted. The crystal studied was a racemic twin.The structure of the title compound, [Pd(C DOI: 10.1107/S1600536812040068/tk5150Isup2.molSupplementary material file. DOI: 10.1107/S1600536812040068/tk5150Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, C\u2014H\u22efCl hydrogen-bonding inter\u00adactions connect the mol\u00adecules into a three-dimensional network.In the title compound, [CdCl DOI: 10.1107/S1600536810043163/pv2344Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2\u2005(2)\u00b0].The complete mol\u00adecule of the title compound, C DOI: 10.1107/S1600536810042315/zs2072Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry at the RhI ion is distorted square-planar. The toluene solvent mol\u00adecule is disordered over two different orientations, with site-occupation factors of 0.810\u2005(2) and 0.190\u2005(2).The reaction of (\u03b7 DOI: 10.1107/S1600536812002851/bt5795Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A chain structure along [100] is built up by inter\u00admolecular O\u2014H\u22efO hydrogen bonds involving the uncoordinated water mol\u00adecules.In the title compound, [Cu(CH DOI: 10.1107/S1600536810021495/ng2782Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is made up of \u221e 1[Nb2PS10] chains expanding along [010]. These chains are built up from bicapped trigonal-prismatic [Nb2S12] units and tetra\u00adhedral [PS4] groups and are linked through a linear S\u2014Ag\u2014S bridge, forming a two-dimensional layer. These layers then stack on top of each other, completing the three-dimensional structure with an undulating van der Waals gap. The disordered Cs+ ions reside on sites with half-occupation in the voids of this arrangement. Short [2.8843\u2005(5)\u2005\u00c5] and long [3.7316\u2005(4)\u2005\u00c5] Nb\u2014Nb distances alternate along the chains, and anionic S2 2\u2212 and S2\u2212 species are observed. The charge balance of the com\u00adpound can be represented by the formula [Cs+]0.5[Ag+]0.5[Nb4+]2[PS4 3\u2212][S2 2\u2212]3.The quinter\u00adnary thio\u00adphosphate Cs DOI: 10.1107/S1600536810021768/wm2357Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810021859/hg2685Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PtII complexes reveal a slightly distorted square-planar geometry with average Pt\u2014P and Pt\u2014Cl bond lengthss of 2.252\u2005(8) and 2.363\u2005(8)\u2005\u00c5, respectively, and average P\u2014Pt\u2014P and Cl\u2014Pt\u2014Cl angles of 99.17\u2005(8) and 87.1\u2005(7)\u00b0, respectively.The asymmetric unit of the title compound, [PtCl For rel2(C19H17P)2]2\u00b73CH2Cl2 = 0.020 wR(F 2) = 0.049 S = 0.95 18701 reflections866 parameters1 restraintH-atom parameters constrainedmax = 1.60 e \u00c5\u22123 \u0394\u03c1min = \u22121.55 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SIR97 publCIF global, I. DOI: 10.1107/S1600536811049269/kp2365Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure of this hybrid compound consists of isolated inorganic chains with composition \u221e[In(HPO4)4/2(OH)2/2] running along [010]. The coordination of the InIII atom is distorted octa\u00adhedral. The ethyl\u00adenediammonium cation and the disordered water mol\u00adecule (site-occupation factors = 0.7:0.3) ensure the cohesion of the structure via N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.The title compound, (C DOI: 10.1107/S160053681003240X/wm2383Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The seat is defined by the mean plane of the four-atom attachment points (r.m.s. deviation = 0.014\u2005\u00c5) of the two bicyclo\u00adheptane substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.001 and 0.000\u2005\u00c5). Relative to the seat, the pommel and cantle bend up 33.36\u2005(5) and 34.22\u2005(4)\u00b0, while the benzo units bend down 33.48\u2005(4) and 36.58\u2005(4)\u00b0.In the title compound, C DOI: 10.1107/S160053681104493X/mw2032Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104493X/mw2032Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the CuII atom is distorted square-pyramidal. The mol\u00adecules pack in the crystal structure via O\u2014H\u22efCl, O\u2014H\u22efN, C\u2014H\u22efCl and C\u2014H\u22efO hydrogen bonds, C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 inter\u00adactions , forming sheet-like assemblies.The title compound, [CuCl DOI: 10.1107/S1600536811025414/tk2760Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811025414/tk2760Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The water mol\u00adecules and the organic cations inter\u00adact with the [ZnCl4]2\u2212 complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100).In the title compound, (C DOI: 10.1107/S1600536811017478/dn2685Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex is located on a twofold axis. The coordination geometry is close to forming a see-saw (SS-4) polyhedron, the symmetry-related organic ligands being almost perpendicular; the dihedral angles between the two pyridine rings and between the two benzene rings are 85.5\u2005(4) and 87.7\u2005(4)\u00b0, respectively. Within the organic ligand, the pyridine ring is nearly coplanar with the benzene ring [dihedral angle = 13.1\u2005(8)\u00b0]. In the crystal, the mol\u00adecular complexes are connected through weak inter\u00admolecular C\u2014H\u22efBr contacts.In the title compound, [HgBr DOI: 10.1107/S1600536811049993/bh2387Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is based on a framework of edge- and corner-sharing MgO6 and MgO4(OH)2 octa\u00adhedra, an MgO5 polyhedron, PO4 and PO3(OH) tetra\u00adhedra. All atoms are in general positions except for one Mg atom, which is located on a crystallographic inversion centre. The OH groups, bridging Mg\u2013(OH)\u2013P, are involved in strong hydrogen bonds. Compounds with the general formula M 7(PO4)2(HPO4)4 are all isostructural with their homologue arsenate Mg7(AsO4)2(HAsO4)4.The title compound, Mg DOI: 10.1107/S1600536811036361/bt5638Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811036361/bt5638Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII ion is in a strongly distorted CdN2O5 penta\u00adgonal-bipyramidal geometry, defined by two N atoms from one 2,2\u2032-bipyridine ligand and five O atoms from three 2-phenyl\u00adquinoline-4-carboxyl\u00adate ligands, one monodentate, two bidentate. Weak inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.712\u2005(3)\u2005\u00c5] help to establish the packing of the structure.The neutral binuclear title complex, [Cd DOI: 10.1107/S1600536810049640/bh2323Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligand shows a non-coplanar conformation, in which the dihedral angles between the two terminal pyridine rings and the linking benzene ring are 7.275\u2005(17) and 74.020\u2005(14)\u00b0. The flexible ligands link the HgII atoms into a chain running along [010], with an Hg\u22efHg separation of 10.335\u2005(5)\u2005\u00c5, which is equal to the b axis. The chains are connected by C\u2014H\u22efO and C\u2014H\u22efCl hydrogen bonds.In the title compound, [HgCl DOI: 10.1107/S1600536811038323/hy2469Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The sulfate tetra\u00adhedron is rotationally disordered over two positions in a 0.651\u2005(12):0.349\u2005(12) ratio. In the crystal, adjacent mol\u00adecules are linked through O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds into a three-dimensional network. In the title complex, [Cd(SO DOI: 10.1107/S1600536811032442/pk2337Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One carboxyl\u00adate group of the 5-amino\u00adisophthalate dianion chelates a Co cation and the other carboxyl\u00adate group bridges the other two Co cations, while the terminal N atoms of the 1,2-bis\u00ad(4-pyrid\u00adyl)ethane ligand coordinate the neighboring Co cations, forming a two-dimensional polymeric architecture. Two pyridine rings of the 1,2-bis\u00ad(4-pyrid\u00adyl)ethane ligand are twisted to each other with a dihedral angle of 50.94\u2005(16)\u00b0. Weak C\u2014H\u22efO hydrogen bonding and N\u2014H\u22ef\u03c0 inter\u00adactions are observed in the crystal structure. A void of 69\u2005(5)\u2005\u00c53 is present in the crystal structure, but no solvent mol\u00adecule can be located reasonably.In the title compound, [Co(C DOI: 10.1107/S1600536810030710/xu5004Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked into a three dimensional network by O\u2014H\u22efO, N\u2014H\u22efO, N\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds and a \u03c0\u2013\u03c0 inter\u00adaction with a centroid\u2013centroid distance of 3.6080\u2005(8)\u2005\u00c5.In the complex anion of the title compound, (C DOI: 10.1107/S1600536811011147/is2693Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cations, the morpholine rings display chair conformations. Extensive N\u2014H\u22efO, N\u2014H\u22efN, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds are present in the crystal structure.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811001772/xu5096Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are two intra\u00admolecular hydrogen bonds [amine N\u2014H\u22efOcarbox\u00adyl and water O\u2014H\u22efOcarbox\u00adyl], while extensive inter\u00admolecular water O\u2014H\u22efO hydrogen-bonding inter\u00adactions extend the complex units into a two-dimensional network structure along (100).In the title compound, [Zn(C DOI: 10.1107/S1600536811012013/zs2102Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is coordinated in a slightly distorted square-planar geometry by two O atoms and two N atoms from two 2-[imino\u00ad(phen\u00adyl)meth\u00adyl]-5-meth\u00adoxy\u00adphenolate ligands. The dihedral angle between the symmetry-unique phenyl and benzene rings is 73.2\u2005(1)\u00b0.The title complex, [Ni(C DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anion lies on an inversion center, while the atoms of the cation occupy general positions. An intra\u00admolecular N\u2014H\u22efN hydrogen bond is observed in the cation. In the crystal, strong N\u2014H\u22efS hydrogen bonding between the terminal sulfur atoms of the anion and the protonated amine N atoms of the cations result in a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811038657/si2373Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu\u2014O bond [2.597\u2005(3)\u2005\u00c5], and both chelating rings display envelope conformations. In the mol\u00adecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5\u2005(3)\u00b0. Extensive inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonding is present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811015169/xu5195Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, noncovalent inter\u00adactions play an important role in the stabilization of the structure, involving O\u2014H\u22efO, N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings of the pyridine-2,6-dicarboxyl\u00adate ligands [centroid\u2013centroid distance = 3.7138\u2005(15)\u2005\u00c5] and between the 8-hy\u00addroxy-2-methyl\u00adquinolinium cations .In the title compound, (C DOI: 10.1107/S1600536811021015/hy2430Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All atoms are in general positions except for one Mn atom which is located on an inversion center. The framework of the structure is built up from PO4 tetra\u00adhedra and two types of MnO6 octa\u00adhedra, one almost ideal and the other very distorted with one very long Mn\u2014O bond [2.610\u2005(4)\u2005\u00c5 compared an average of 2.161\u2005\u00c5 for the other bonds]. The centrosymetric octa\u00adhedron is linked to two distorted MnO6 octa\u00adhedra by an edge common, forming infinite zigzag Mn3O14 chains running along the b axis. Adjacent chains are linked by PO4 and PO3(OH) tetra\u00adhedra through vertices or by edge sharing, forming sheets perpendicular to [100]. The Pb2+ cations are sandwiched between the layers and ensure the cohesion of the crystal structure. O\u2014H\u22efO hydrogen bonding between the layers is also observed.The title compound, Pb DOI: 10.1107/S1600536812033259/hp2043Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Na atom is seven-coordinate as it is linked to four O atoms of the same Schiff base ligand, one O atom of the methanol and two tetra\u00adfluorido\u00adborate F atoms. The remaining two F atoms of the anion are disordered over two sites in a 0.598\u2005(18):0.402\u2005(18) ratio.In the dinuclear salen-type title complex, [CuNa(BF DOI: 10.1107/S160053681102842X/ng5196Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds link the mol\u00adecules into layers parallel to (100).In the title compound, C DOI: 10.1107/S1600536810042820/cv2778Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other Dy atom has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank\u2013Kasper polyhedron. The coordination polyhedron of the Ni atom is a tricapped trigonal prism formed by nine Dy atoms.The classification of the title compound, tridysprosium nickel, into the Fecard 1967. Bull. S DOI: 10.1107/S1600536813028717/wm2777Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The geometry is a distorted NiN4O2 octa\u00adhedron. The formula units are connected by N\u2014H\u22efO hydrogen bonds into centrosymmetric dimers. Further N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the complex mol\u00adecules and the perchlorate ions.In the crystal structure of the title salt, [Ni(C DOI: 10.1107/S1600536810042637/bt5383Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two and a half water molecules of hydration per complex unit are observed in the crystal structure. The compounds extend along the c axis with O\u2014H\u22efCl, O\u2014H\u22efO, C\u2014H\u22efCl and C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid-centroid distance = 3.70\u2005(2)\u2005\u00c5] contributing substanti\u00adally to the crystal packing. The Mn and one of the water O atoms, the latter being half-occupied, are located on special positions, in this case a rotation axis of order 2.The metal site in the title compound [MnCl DOI: 10.1107/S1600536811021805/im2285Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mid-point of the ligand is located on an inversion center, and shows a trans conformation. The ligands link the ZnII ions, forming a chain structure along [10-1].In the title compound, [ZnCl DOI: 10.1107/S1600536812014043/hy2529Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "All aminium H atoms are involved in N\u2014H\u22efCl hydrogen bonding, which consolidate the crystal packing along with weak C\u2014H\u22efO inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811003692/cv5035Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The EuIII ion is ligated to three nitrate groups, four O atoms from the salen-type ligand and one methanol mol\u00adecule, leading to a distorted tenfold coordination for the rare earth cation. One of the three nitrate anions is disordered over two positions in a 0.66\u2005(5):0.34\u2005(5) ratio.In the title dinuclear salen-type complex, [CuEu(C DOI: 10.1107/S1600536810039103/rk2221Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The BiIII cation is coordinated by six Cl\u2212 anions in a slightly distorted octa\u00adhedral geometry. The diprotonated piperazine ring adopts a chair conformation. In the crystal, extensive inter\u00admolecular N\u2014H\u22efCl, N\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds occur.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811045594/xu5366Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The remaining methyl\u00adenehy\u00addroxy groups engage in O\u2014H\u22efO hydrogen bonding with the O atoms of adjacent mol\u00adecules, leading to infinite supra\u00admolecular chains propagating in [001].In the title compound, [Sn(C DOI: 10.1107/S1600536810021872/xu2772Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N\u2032-bidentate phen ligand and two cyanide ligands, generating distorted tetra\u00adhedral CuN2 Q 2 (Q = C or N) tetra\u00adhedra. The \u03bc-cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are cross-linked by numerous aromatic \u03c0\u2013\u03c0 stacking contacts between adjacent phen rings [minimum centroid\u2013centroid separation = 3.620\u2005(3)\u2005\u00c5].In the title coordination polymer, {[Cu(CN)(C DOI: 10.1107/S1600536810045186/hb5723Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These two ligand components are inter\u00adlinked through a delocalized H atom within a short O\u22efH\u22efO hydrogen bond. Structure extension gives a two-dimensional coordination polymer which lies parallel to (001). The structure was determined from a crystal twinned by non-merohedry, with a twin component ratio of approximately 1:1.In the structure of the title polymeric complex, [Cs(C For str al. 1994, 1995 \u25b6;9H7O2)(C9H8O2)] = 0.071wR(F2) = 0.144S = 1.193353 reflections210 parametersH-atom parameters constrainedmax = 1.26 e \u00c5\u22123\u0394\u03c1min = \u22122.19 e \u00c5\u22123\u0394\u03c1CrysAlis PRO used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536814000804/wm2798Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814000804/wm2798Isup3.cmlSupporting information file. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The compound was isolated during attempts to synthesize a mixed-ligand coordination polymer by solvothermal reaction between copper(II) nitrate and equimolar mixtures of pyrazine-2-carboxylic acid and pyridine-2-carb\u00adoxy\u00adlic acid in a mixture of water and EtOH. The difference in the two components of the compound is due to substitutional disorder of a CH group for one of the N atoms of the pyrazine ring which share the same site in the structure. In the crystal structure, the CuII atom lies on an inversion centre and is six-coordinated in a distorted N2O4 geometry. The carboxyl\u00adate group carbonyl O atoms are weakly coordinated to an equivalent CuII atom that is translated one unit cell in the a-axis direction, thus forming a polymeric chain through carboxyl\u00adate bridges.The title compound, [Cu(C DOI: 10.1107/S1600536812012378/mw2061Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "This is composed of zinc-dimer clusters capped by dimethyl\u00adcarbamate ligands, which lie on crystallographic twofold rotation axes and are polymerically linked in one dimension by 2-phenyl\u00adbenzimidadole (2\u2013PBImi) organic ligands. The two Zn2+ ions defining the dimetal cluster are crystallographically independent, but display very similar coordination modes and tetra\u00adhedral geometry. As such, each Zn2+ ion is coordinated on one side by the N-donor imidazole linker, while the other three available coordination sites are fully occupied by the O atoms from the capping dimethyl\u00adcarbamates. The chirality of the chain extends along the c axis, generating a rather long 52.470\u2005(11)\u2005\u00c5 cell axis. Inter\u00adestingly, the chiral material crystallizes from completely achiral precursors. A twofold axis and 31 screw axis serve to generate the long asymmetric unit.The crystal structure of the title compound, [Zn DOI: 10.1107/S1600536811053177/nk2124Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure exhibits parallel stacking of the diammonium dication in its packing arrangement, together with inorganic\u2013organic layering that is typical of these n-alkyl\u00addiammonium salts. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure where the hydrogen bonds link the cation and anion layers together through the sulfate anions and the water mol\u00adecules.The crystal structure of the title compound, C DOI: 10.1107/S1600536811030030/zk2015Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030030/zk2015Isup3.mol Supplementary material file. DOI: 10.1107/S1600536811030030/zk2015Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The title compound crystallizes in space group C2/c while the previously reported polymorph was reported in P21/c [Baldovino-Pantale\u00f3n et al. \u2005\u00c5] inter\u00adactions.The asymmetric unit of the title compound, [NiCl al. 2006. Adv. Sy DOI: 10.1107/S1600536811055577/fj2491Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each CuII ion is five-coordinated in a distorted square-pyramidal geometry by one N and two O atoms from an ida ligand, one O atom from the neighbouring ida ligand and one water O atom. In the crystal, the polymeric chains are held together via inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536811041286/cv5163Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two O-bonded 4-cyano\u00adphenolate anions and a nitrosyl cation complete the coodination of the MoII atom. Two intra\u00admolecular C\u2014H\u22efO and one C\u2014H\u22efN hydrogen bonds help to establish the configuration of the complex mol\u00adecule. The crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds.In the title compound, [Mo(C DOI: 10.1107/S160053681004537X/hb5724Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The center of the pyrazine ring lies on an inversion center. The nifedipine mol\u00adecules are linked into chains along the c axis through N\u2014H\u22efO hydrogen bonds, while the pyrazine mol\u00adecules are organized in the structure through van der Waals inter\u00adactions. In the title compound, 2C DOI: 10.1107/S1600536810031703/kj2152Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is in a Jahn\u2013Teller-distorted octa\u00adhedral environment formed by one imidazole N atom and five O atoms from three oxalate anions. The two independent oxalate anions are situated on centres of inversion and coordinate to the CuII atom in two different modes, viz. bidentate and monodentate. The bidentate anions bridge two CuII atoms, whereas the monodentate anions bridge four CuII atoms, leading to a layered arrangement parallel to (100). These layers are further linked into a final three-dimensional network structure via inter\u00admolecular N\u2014H\u22efO hydrogen bonds. The title compound is isotypic with the Zn analogue.The title compound, [Cu DOI: 10.1107/S1600536811015777/wm2473Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak N\u2014H\u22efCl hydrogen bonds link the mol\u00adecules into layers, while weak \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 4.2758\u2005(18)\u2005\u00c5] also help to stabilize the packing.In the title compound, (C DOI: 10.1107/S1600536810046817/jh2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the cation is linked to the anion by an O\u2014H\u22efO hydrogen bond.The reaction of 8-hy\u00addroxy\u00adquinoline, 2-methyl\u00adquinolin-8-ol and stannic chloride yields the protonated 8-hy\u00addroxy-2-methyl\u00adquinolinium species. In the title salt, (C DOI: 10.1107/S1600536812019459/xu5531Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The coordination polyhedron about the two central Sn atoms is distorted trigonal\u2013bipyramidal, whilst the two peripheral metal atoms bonded to the carboxyl\u00adate groups have a distorted octa\u00adhedral coordination geometry. In the crystal, mol\u00adecules are connected by long Sn\u22efO contacts [3.139\u2005(11)\u2005\u00c5], forming chains along [011].In the title compound, [Sn DOI: 10.1107/S1600536811023452/rz2611Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cd atom has a distorted penta\u00adgonal\u2013bipyramidal environment, defined by five O atoms from three different 1,3-phenylendiacetate ligands and two N atoms from two 1,3-di-4-pyridyl\u00adpropane (bpp) ligands. Each Cd2 subunit is linked to four different Cd2 subunits by four 1,3-pda ligands and four bpp ligands, forming a two-dimensional network with rhombic grids (12.50 \u00d7 12.50\u2005\u00c52) extending along the ab plane.In the title compound, [Cd(C DOI: 10.1107/S1600536811041432/aa2028Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging carbonyl C\u2014C(=O)\u2014C plane makes dihedral angles of 47.07\u2005(6)\u00b0 with the naphthalene ring system and 24.20\u2005(10)\u00b0 with the benzene ring. A weak inter\u00admolecular C\u2014H\u22efO hydrogen bond exists between the H atom of one meth\u00adoxy group and the O atom of the other meth\u00adoxy group in an adjacent mol\u00adecule. The crystal packing is additionally stabilized by two types of weak inter\u00admolecular inter\u00adactions involving the Br atom, C\u2014H\u22efBr and Br\u22efO [3.2802\u2005(14)\u2005\u00c5].In the title compound, C DOI: 10.1107/S160053681004016X/vm2049Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, bifurcated O\u2014H\u22ef and N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into a three-dimensional network.In the title compound, [Fe(C DOI: 10.1107/S1600536811050835/lh5370Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometries of the symmetry-equivalent VV atoms are defined by cis-terminal fluoride and oxide groups, unsymmetrically bridging oxide groups and the N-atom donors of the bipyridyl ligand. The crystal packing is stabilized by weak inter\u00admolecular C\u2014H\u22efO and C\u2014H\u22efF hydrogen bonds.The title compound, [V DOI: 10.1107/S1600536810031302/om2351Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure features polymeric chains running along the b axis which are stabilized by N\u2014H\u22efN hydrogen bonds.In the title coordination polymer, [Hg(NCS) DOI: 10.1107/S1600536812016790/bt5873Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The iron atoms adopt a three-legged piano-stool geometry. All amine H atoms are involved in N\u2014H\u22efF hydrogen bonds, which consolidate the crystal packing along with weak C\u2014H\u22efO and C\u2014H\u22efF inter\u00adactions.The asymmetric unit of the title compound, [Fe DOI: 10.1107/S1600536811010154/rz2564Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the chain, the Cd2+ cation is coordinated by four bridging Cl\u2212 ligands in equatorial positions and two N atoms from symmetry-related and likewise bridging 1,3-bis\u00ad(imidazol-1-yl)propane ligands in axial positions, forming a distorted CdCl4N2 octa\u00adhedron.The title complex, [CdCl DOI: 10.1107/S1600536812021083/wm2624Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the two chelating NCCN groups is 80.9\u2005(1)\u00b0. The central C atom of the propane-1,3-diol solvent mol\u00adecule is likewise located on a twofold rotation axis. In the crystal structure, the [Ni(SO4)(C12H8N2)2] and C3H8O2 entities are connected through inter\u00admolecular O\u2014H\u22efO hydrogen bonding.In the structure of the title compound, [Ni(SO DOI: 10.1107/S1600536810020210/wm2347Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each L ligand also lies across an inversion center and bridges two CdII ions, forming infinite two-dimensional recta\u00adngular layers running parallel to (010).In the title coordination polymer, [CdCl DOI: 10.1107/S1600536811027036/gw2103Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.319\u2005(1)\u2005\u00c5] in the crystal structure.In the title compound, [Cd(NO DOI: 10.1107/S1600536811039687/jh2323Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II complex, [Zn2(C3H6NS2)4(C10H8N2)], is centrosymmetric; the mid-point of the C\u2014C bond linking the two pyridine rings is located on an inversion center. The pyridine N atom coordinates to the ZnII cation, which is also chelated by two dimethyl\u00addithio\u00adcarbamate anions, giving a trigonal-bipyramidal ZnNS4 geometry. Weak inter\u00admolecular C\u2014H\u22efS hydrogen bonding is present in the crystal structure.The title dinuclear Zn DOI: 10.1107/S1600536810042650/xu5042Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [CuI2(C20H14N4)], has a distorted square-pyramidal coordination formed by the N atoms of the tridentate 4\u2032-(4-pyrid\u00adyl)-2,2\u2032:6\u20322\u2032\u2032-terpyridine (pyterpy) ligand and two I atoms; one of the I atoms is in the apical position. In contrast to other known square-pyramidal diiodido- and dibromidocopper complexes of the pyterpy ligand in which metal\u2013halogen distances are significantly different, in the title compound the apical and equatorial Cu\u2014I bonds are almost identical .The Cu DOI: 10.1107/S1600536810020635/ya2124Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cd atom in the complex [Cd(Se4)2]2\u2212 anion is tetra\u00adhedrally coordinated by two chelating tetra\u00adselenide ligands, and both CdSe4 rings exhibit an envelope conformation.The title compound, (EtMe DOI: 10.1107/S1600536811007227/zl2349Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the metal atom of the cation resembles a distorted octa\u00adhedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3\u2005(2)\u00b0]. Supra\u00admolecular inter\u00adactions, namely Mo=O\u22ef\u03c0, C\u00a0N\u22ef\u03c0, C\u2014H\u22efO and C\u2014H\u22efN, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707\u2005(9) and 0.769\u2005(8).The asymmetric unit of the title compound, [Mo(C DOI: 10.1107/S1600536811049385/tk5024Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridin\u00adium cation is connected to the complex ion by an N\u2014H\u22efO hydrogen bond and electrostatic inter\u00adactions in the crystal. There are two kinds of disorder in the structure, one involving rotational disorder of a CF3 group [occupancy ratio 0.560\u2005(15):0.440\u2005(15)] and the other involving an exchange between a CF3 group and CH3 group within a given bidentate ligand (occupancy ratio 0.64:0.36).In the anion of the title compound, (C DOI: 10.1107/S1600536811005034/om2404Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion is a six-coordinated complex with a distorted CuN2O4 octa\u00adhedral geometry around the CuII ion. N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds along with \u03c0\u2013\u03c0 contacts between the pyridine rings of the (2a4mpH)+ cations [centroid\u2013centroid distance = 3.573\u2005(2)\u2005\u00c5] stabilize the crystal structure.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811001139/bt5449Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic ligand is bidentate, coordinating the ZnII atom via two imine N atoms. The benzene and pyridine rings are oriented at a dihedral angle of 10.49\u2005(1)\u00b0. In the crystal, weak C\u2014H\u22efF and C\u2014H\u22efBr hydrogen bonds are observed.In the title complex, [ZnBr DOI: 10.1107/S1600536812031091/pv2564Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure is stabilized by intermolecular O\u2014H\u22efN hydrogen bonds involving the coordinated water mol\u00adecules and the N atoms of the tetra\u00adzolide group.In the title complex, [Mn(C DOI: 10.1107/S1600536811047428/pv2481Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047428/pv2481Isup4.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry of the CuII atom is octa\u00adhedral, exhibiting a typical Jahn\u2013Teller distortion. One trifluoro\u00admethyl group is rotationally disordered between two orientations in a 1:1 ratio.The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536810022567/cv2732Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex has an approximate non-crystallographic mirror symmetry m passing through the chromium atom, two carbonyl ligands and the mid-point of the central C\u2014C bond of the s-cis-1,3-butadiene ligand. The C\u2014C bond lengths in the s-cis-1,3-butadiene ligand alternate, the terminal distances being shorter than the central distance.In the title complex, [Cr(C DOI: 10.1107/S1600536811004636/si2332Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the ferrocenyl moiety, the unsubstituted cyclo\u00adpenta\u00addienyl ring is disordered over two orientations with site occupancies of 0.64\u2005(2) and 0.36\u2005(2). In the pyrrolizine ring, one C atom is disordered over two positions, with site occupancies of 0.71\u2005(1) and 0.29\u2005(1). Intra\u00admolecular C\u2014H\u22efO inter\u00adactions occur. The crystal packing is established through weak inter\u00admolecular C\u2014H\u22efO and N\u2014H\u22efO inter\u00adactions.In the title compound, [Fe(C DOI: 10.1107/S1600536810045459/im2240Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by hydrogen bonding formed between chloride ions and adjacent water mol\u00adecules. One of the two independent water molecules in the asymmetric unit is disordered over two sets of sites, each on a twofold rotation axis, in a 0.734\u2005(17):0.269\u2005(17) ratio. In the title complex, [CoCl DOI: 10.1107/S1600536811009251/bq2282Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The conformation of the hy\u00addroxy\u00adbutano\u00adate side chain is controlled by an inter\u00admolecular hydrogen bond. The central Ni atom in the title compound, [Ni(C DOI: 10.1107/S1600536811031059/im2308Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The di-2-pyridyl\u00adamine ligands are nonplanar and the dihedral angles between the 2-pyridyl groups are 29.11\u2005(9) and 37.15\u2005(12)\u00b0. The coordination cation, which has approximate C 2 symmetry, is connected to the bromide ion via an N\u2014H\u22efBr\u2212 hydrogen bond. The ionic pair thus formed is further assembled into a dimer via N\u2014H\u22efO inter\u00adactions about an inversion centre. A set of weaker C\u2014H\u22efO and C\u2014H\u22efBr\u2212 inter\u00adactions connect the dimers into a three-dimensional network.In the title compound, [Co(CO DOI: 10.1107/S1600536811008051/su2260Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular C\u2014H\u22efCl inter\u00adaction occurs. The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efCl hydrogen bonds, which form an extended chain parallel to [010].In the title complex, [CuCl(C DOI: 10.1107/S1600536811017752/jh2287Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average of the four Ru\u2014Cl bond lengths is 2.355\u2005(15)\u2005\u00c5, and the Ru\u2014S and Ru\u2014N bond lengths are 2.2853\u2005(3) and 2.1165\u2005(11)\u2005\u00c5, respectively. The complex forms a chain, with a six-coordinate sodium ion bridging the ruthenium(III) units. The sodium cation is coordinated by cis-chloride ligands on ruthenium [Na\u2014Cl = 2.9576\u2005(7) and 2.6988\u2005(7)\u2005\u00c5], chloride and DMSO ligands from the ruthenium complexes related by inversion , a nitro\u00adgen ligand from the pyrimidine of the tetrachlorido\u00adruthenium(III) complex related by the twofold rotation axis [Na\u2014N = 2.5224\u2005(14)\u2005\u00c5] and an oxygen-bound DMSO [Na\u2014O = 2.3165\u2005(12)\u2005\u00c5]. The title complex, [NaRuCl DOI: 10.1107/S1600536811017211/om2427Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, \u03c0\u2013\u03c0 contacts between the pyridine and benzene rings stabilize the structure.In the mol\u00adecule of the title compound, [CdBr DOI: Click here for additional data file.10.1107/S1600536812050106/hy2608Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The TbIII atom displays a dodecahedral geometry, while the MoV ion exhibits a distorted square-anti\u00adprismatic geometry. The Tb atoms are located on a special position of site symmetry In the title compound, [Tb(C DOI: 10.1107/S1600536811020022/bt5505Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efO hydrogen bond occurs. In the crystal, inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds form a three-dimensional network, which consolidates the packing.In the title compound, [Fe(C DOI: 10.1107/S1600536811024779/cv5111Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry around the CuII atom can be described as distorted elongated octa\u00adhedral with Rout = 2.277\u2005(2)\u2005\u00c5, Rin = 2.052\u2005(2)\u2005\u00c5 and a tetra\u00adgonality of 0.9011, acquiring a \u2018static\u2019 stereochemistry. In the supra\u00admolecular network, there are inter\u00admolecular C\u2014H\u22efF and C\u2014H\u22efN inter\u00adactions with R33(16), R22(7), R12(4), R33(16) and C32(7) motifs that lead to an infinite three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536812028267/ru2037Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The RhI atom is displaced from the plane through these surrounding atoms by 0.0085\u2005(2)\u2005\u00c5. The dihedral angle between the benzene ring and the N\u2014C\u2014C\u2014C\u2014O plane is 89.82\u2005(6)\u00b0, and the N\u2014Rh\u2014O bite angle for the bidentate ligand is 90.53\u2005(6)\u00b0. An inter\u00admolecular C\u2014H\u22efO inter\u00adaction is observed between a methyl group of the benzene ring and a carbonyl O atom.In the title compound, [Rh(C DOI: 10.1107/S1600536812017175/hy2537Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the structure, one of two Mn atoms is located on an inversion centre, whereas all others atoms are located in general positions. The framework structure is built up from two types of MnO6 octa\u00adhedra , one PO3OH and one PO4 tetra\u00adhedron. The centrosymmetric MnO6 octa\u00adhedron is linked to two other MnO6 octa\u00adhedra by edge-sharing, forming infinite zigzag chains parallel to [010]. The PO3OH and PO4 tetra\u00adhedra connect these chains through common vertices or edges, resulting in the formation of sheets parallel to (100). The Sr2+ cation is located in the inter\u00adlayer space and is bonded to nine O atoms in form of a distorted polyhedron and enhances the cohesion of the layers. Additional stabilization is achieved by a strong inter\u00adlayer O\u2014H\u22efO hydrogen bond between the PO3OH and PO4 units. The structure of the title phosphate is isotypic to that of Pb2Mn3(HPO4)2(PO4)2.The title compound, Sr DOI: 10.1107/S1600536813018898/wm2758Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Doubly bridging admt ligands connect two ZnII atoms, forming a centrosymmetric dimer. Weak N\u2014H\u22efI and C\u2014H\u22efI hydrogen bonds play an important role in the inter\u00admolecular packing.In the title compound, [Zn DOI: 10.1107/S160053681004852X/zl2313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two H2mbidc ligands bridge two ZnII atoms, generating a double-chain along [In the title compound, {[Zn(C DOI: 10.1107/S1600536811006532/hy2396Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyrazole rings have a 21.09\u2005(5)\u00b0 angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions. The title compound, C DOI: 10.1107/S1600536812032801/zq2175Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812032801/zq2175Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The structure is composed of an [Fe2(C2H5S)(S)(CO)6] subcluster, which is linked to its counterpart by an inversion centre located at the mid-point of the central disulfide bond. The Fe2S2 core of each subcluster exhibits a butterfly-like shape, with two S atoms bridging two Fe atoms. In the subcluster, each Fe atom is coordinated in a distorted octa\u00adhedral coordination by three terminal carbonyl C atoms, two S atoms and one Fe atom. The crystal packing is accomplished through van der Waals inter\u00adactions.Next to the monoclinic polymorph [Cheng al. 2005. Acta Cr DOI: 10.1107/S1600536811017405/wm2485Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the two phenyl rings and the naphthalene ring system are 71.82\u2005(6) and 71.58\u2005(6)\u00b0. In the crystal, inter\u00admolecular C\u2014H\u22efO inter\u00adactions between the carbonyl oxygen and aromatic hydrogen are observed.In the title compound, C DOI: 10.1107/S1600536810039620/om2367Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There are C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.487 \u2005(3)\u2005\u00c5] in the crystal structure. The perchlorate anion is disordered over two positions with an occupancy ratio of 0.628\u2005(9):0.372\u2005(9). In the crystal structure of the title compound, [Cu(HCO DOI: 10.1107/S1600536811039675/jh2326Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This complex crystallizes with a distorted tetra\u00adhedrally coordinated ZnII atom that diposes the two nacnac ligands approximately orthogonally to one another [angle between the two N\u2014Zn\u2014N mean planes is 89.91\u2005(10)\u00b0], with average Zn\u2014N bond lengths of 1.992\u2005(4)\u2005\u00c5.The title compound, [Zn(C DOI: 10.1107/S1600536812007878/wm2594Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011). O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the imidazole rings [centroid\u2013centroid distance = 3.807\u2005(5)\u2005\u00c5] connect the layers. Two of the three uncoordinated water mol\u00adecules are disordered, each over two 0.25-occupancy positions.In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811039481/hy2452Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4,4\u2032-bpy ligand has an inversion center at the mid-point of the central C\u2014C bond. The PbII atoms are linked by bidentate bridging 4,4\u2032-bpy into a chain along [101]. These chains are further connected into layers via C\u2014H\u22efO hydrogen bonds.In the title complex, [Pb(C DOI: 10.1107/S1600536811035021/hy2458Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polyanion has approximate C v2 symmetry. The two Pt-bound \u03bc2-O atoms are protonated in the polyanion. The heteropolyanions form inversion-generated dimers, {[H2PtV9O28]2}10\u2212, held together by each of the two \u03bc2-O\u2014H\u22ef\u03bc2-O and \u03bc2-O\u2014H\u22ef\u03bc3-O hydrogen bonds. The guanidinium cations are hydrogen bonded with the \u03bc2- and terminal O atoms of the polyanion, connecting the polyanions into a three-dimensional network.The title compound, (CH DOI: 10.1107/S1600536811049166/zl2427Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ni2+ ion is in a distorted octa\u00adhedral coordination by six N atoms from three chelating 2,2\u2032-bipyridine ligands. The Lindqvist-type anion exhibits the characteristic Mo\u2014O bond-length distribution, with the shortest bonds being the Mo\u2014O bonds [mean = 1.679\u2005(2)\u2005\u00c5] and the longest being those to the central O atom [mean = 2.318\u2005(7)\u2005\u00c5]. A number of C\u2014H\u22efO inter\u00adactions contribute to the crystal packing.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810032058/wm2381Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mg2+ ions are bonded to a chelating N,N\u2032-bonded guanidinate anion, a tetra\u00adhydro\u00adfuran mol\u00adecule and two bridging chloride anions. The geometry of the resulting five-coordinated Mg2+ ion is a very distorted square-based pyramid with the O atom in the apical position.The dinuclear title complex, [Mg DOI: 10.1107/S1600536811023865/hb5890Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536812035362/tk5138Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035362/tk5138Isup3.cdxSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The PbII atom is surrounded by four O atoms and one N atom in a \u03a8-octa\u00adhedral PbO4NE geometry (E is the electron lone pair). Two longer Pb\u22efO inter\u00adactions distort the geometry towards a \u03a8-square-anti\u00adprism. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the mol\u00adecules.In the centrosymmetric dinuclear title compound, [Pb DOI: 10.1107/S1600536811002509/bt5469Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "All three N atoms coordinating to the TiIV atom adopt planar environments , which is indicative of p\u03c0\u2013d\u03c0 donation from all of these N atoms to the metal and, thus, of the formal 18\u2005e\u2212 nature of the complex. The overall coordination about the TiIV atom is distorted tetra\u00adhedral, assuming the cyclo\u00adpenta\u00addienyl ring occupies one coordination site. The Ti\u2014Nimidazole amide-type bond is longer by approximately 0.16\u2005\u00c5 than the other two Ti\u2014Namide bonds.The chemically achiral title mol\u00adecule, [Ti(C DOI: 10.1107/S1600536811012396/wm2469Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of half a complex mol\u00adecule with the Mn3+ cation, the thio\u00adcyanate anion and the pyridine ligand located on a mirror plane. The acetyl\u00adacetonate anion is in a general position. The title compound was previously described but could only be obtained as a powder. Suitable crystals have now been obtained for a high-precision single-crystal structure determination.In the crystal structure of the title compound, [Mn(C al. 1975. Inorg. DOI: 10.1107/S1600536813030407/bt6942Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II atom in the title salt, [CuBr(C6H10N2)4]Br, is coordinated in a square-pyramidal geometry by four imidazole N atoms and one bromide anion that is located at the apex of the pyramid. The cations and the anions form a two-dimensional network parallel to (001) through N\u2014H\u22efBr hydrogen bonds.The Cu DOI: 10.1107/S1600536811035215/ng5221Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The centroid\u2013centroid distance between the central phenyl\u00adene ring and the aromatic ring of the benzyl group is 4.028\u2005(12)\u2005\u00c5. In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bond generate a chain along (100). C\u2014H\u22efO inter\u00adactions are also observed.In the title compound, C DOI: 10.1107/S1600536811039249/ng5234Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811039249/ng5234Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [{Cp(CO)2Fe}2Sn(OH)2] and water mol\u00adecules are linked by O\u2014H\u22efO hydrogen bridges, giving two-dimensional arrays with 4.82 topology that stack along the c axis.In the title hydrate, [Fe DOI: 10.1107/S1600536810021975/tk2678Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The relative stereochemistry of the three stereogenic C atoms in each ligand has been determined. In the crystal, inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the mol\u00adecules into layers parallel to the bc plane. The crystal studied was twinned by pseudo\u00admerohedry with twin fractions of 0.719\u2005(3) and 0.281\u2005(3).In the title compound, [Cu(C DOI: 10.1107/S1600536811043893/cv5181Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains one-dimensional {[Pb3I10]4\u2212}n polymeric anions spreading parallel to [001], resulting from face\u2013face\u2013edge association of PbI6 distorted octa\u00adhedra. One of the PbII cations is imposed at an inversion centre, whereas the second occupies a general position. N\u2014H\u22efI hydrogen bonds connect the organic cations and inorganic anions.The organic\u2013inorganic hybrid, {(C DOI: 10.1107/S160053681100941X/yk2002Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Rb+ cations are located on threefold inversion axes in the voids of this framework and exhibit a coordination number of 12. The crystal studied was twinned by merohedry with a component ratio of 0.503:0.497.The title compound, rubidium ditin(IV) tris\u00ad(phosphate), RbSn DOI: 10.1107/S1600536811014310/wm2466Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridine rings are nearly perpendicular to each other [dihedral angle = 84.49\u2005(16)\u00b0]. The crystal packing is stabilized by intra\u00admolecular and inter\u00admolecular N\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title compound, [Co(CH DOI: 10.1107/S1600536812038664/xu5616Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The central P\u2014N\u2014P angle [144.12\u2005(13)\u00b0] of the cation is in the expected range and indicates only weak cation\u2013anion inter\u00adactions. The almost linear [Cl\u2014H\u2014Cl]\u2212 anion is a rare example of a symmetric hydrogen bridge in a hydrogen dichloride anion. The Cl\u22efCl distance and two equal Cl\u2014H bonds are typical of such a symmetric hydrogen dichloride anion.In the title compound, [(Ph DOI: 10.1107/S1600536811035057/su2304Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom shows a distorted square-planar coordination environment, with a P\u2014Pt\u2014P angle of 172.41\u2005(3)\u00b0 as the most prominent feature. Both isopropyl fragments were treated as disordered over two conformations with occupancy ratios of 0.55\u2005(2):0.45\u2005(2) and 0.58\u2005(2):0.42\u2005(2). The solvent mol\u00adecule was also disordered over two orientations in a 1:1 ratio. The crystal studied was a non-merohedral twin with a twin component of 32.4%.The title compound, [PtCl DOI: 10.1107/S1600536811051841/cv5210Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atoms are bridged by the nitronyl nitroxide ligands into a tape-like structure along the b axis. The tapes are further connected by O\u2014H\u22efO hydrogen bonds, forming a layer parallel to the bc plane.In the title compound, [Co(C DOI: 10.1107/S1600536811009925/is2683Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thiocyanate anions act as bridging ligands between the CdII ions, leading to a polymeric chain arrangement extending along [001] around a twofold screw axis. The ammonium ions are contained within the bowl of the macrocycle via extensive N\u2014H\u22efO hydrogen bonding.In the title compound, {(NH DOI: 10.1107/S1600536812004898/zb2021Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, carboxyl\u00adate bridges link the metal atoms, forming zigzag chains parallel to the b axis.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536810047835/rz2525Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom, lying on an inversion center, is four-coordinated by the phenolate O atoms and imine N atoms of two Schiff base ligands, forming a square-planar geometry. The O- and N-donor atoms are mutually trans. In the crystal structure, the nitrate anions are linked to the complex cations by inter\u00admolecular N\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810025663/sj5031Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each ZnII atom has a distorted square-pyramidal coordination geometry and the Zn4(\u03bc-OMe)2 unit lies in the cleft formed by two distinctly bent Schiff base ligands. The observed mol\u00adecular shape is supported by an intra\u00admolecular \u03c0\u2013\u03c0 inter\u00adaction between one of the phenolate rings on each of the two ligands [centroid\u2013centroid distance = 3.491\u2005(5)\u2005\u00c5]. The methyl groups of the solvent molecule are disordered over two sets of sites in a 0.6:0.4 ratio.The title compound, [Zn DOI: 10.1107/S1600536811005873/im2265Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 5-hy\u00addroxy\u00adisophthalate anions bridge the Cd cations, forming a two-dimensional polymeric complex parallel to (100). In the complex, the hy\u00addroxy group is linked to the uncoordinated carb\u00adoxy-O atom via an O\u2014H\u22efO hydrogen bond. Weak C\u2014H\u22efO hydrogen bonds are also present in the crystal structure. One of the methyl groups is disordered over two positions in a 0.536\u2005(11):0.464\u2005(11) ratio.In the title compound, [Cd(C DOI: 10.1107/S1600536811035975/xu5315Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A distorted octahedral coordination geometry of the CoII atom results from ligation of an H atom, which is part of an agostic B\u2014H\u22efCo inter\u00adaction [H\u22efCo = 2.12\u2005(3)\u2005\u00c5], and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. Weak intra- and inter\u00admolecular C\u2014F\u22ef\u03c0 inter\u00adactions with F\u22efcentroid distances ranging from 3.025\u2005(4) to 3.605\u2005(4)\u2005\u00c5 are observed.The title compound, [Co(Cenza 2010. Acta Cr DOI: 10.1107/S1600536811021994/rz2601Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by \u03c0\u2013\u03c0 inter\u00adactions between the pyridyl and benzene rings of the phenanthroline ligands [centroid\u2013centroid distances = 3.591\u2005(1) and 3.610\u2005(1)\u2005\u00c5].In the title mononuclear complex, [Cd(C DOI: 10.1107/S1600536810028175/hy2328Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cs+ cation is six-coordinated by O atoms derived from two oxido and four carboxyl\u00adate O atoms; each O atom in the anion bridges two Cs+ cations. In the crystal, inter\u00admolecular N\u2014H\u22efO hydrogen bonding is present and contributes to the stability of the three-dimensional network generated by the bridging O atoms.The asymmetric unit of the polymeric title salt, [Cs(C DOI: 10.1107/S1600536811031874/tk2776Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular structure is comprised of two hydro\u00adtris\u00ad(1-pyrazol\u00adyl)borate ligands (Tp\u2212) and a central FeII ion, which is coordinated by six pyrazole N atoms from two two Tp\u2212 ligands, yielding a distorted bipyramidal FeN6 geometry. The complete molecule exhibits symmetry 2/m.The title compound, [Fe(C al. 1980. Inorg. DOI: 10.1107/S1600536811025839/hg5058Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both Ni atoms are located on crystallographic centres of inversion.The title compound, [Ni(C DOI: 10.1107/S1600536811028510/im2294Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other carboxyl\u00adate O atom of the benzoate ligand inter\u00adacts weakly with the Sn atom, with an Sn\u22efO distance of 2.790\u2005(2)\u2005\u00c5, which causes a distortion of the tetra\u00adhedral coordination geometry.In the title compound, [Sn(C DOI: 10.1107/S160053681002708X/is2569Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811003072/bt5467Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Cl] = 0.097 wR(F 2) = 0.305 S = 0.93 14011 reflections869 parametersH-atom parameters constrainedmax = 1.01 e \u00c5\u22123 \u0394\u03c1min = \u22120.97 e \u00c5\u22123 \u0394\u03c1 CrystalClear used to solve structure: SIR2004 I, global. DOI: 10.1107/S1600536811051130/ds2159Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051130/ds2159Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The piperazinediium cation adopts a chair conformation and the CoII ion is six-coordinated in an N2O4 environment, having a distorted octa\u00adhedral geometry. In the crystal, inter\u00admolecular O\u2014H\u22efO, N\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds link the components, forming a three-dimensional network.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536811023518/lh5266Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one CoII ion, one pyrimidine ligand, two seleno\u00adcyanate anions and one methanol mol\u00adecule in general positions as well as one pyrimidine ligand located around a twofold rotation axis. In the crystal structure, the pyrimidine ligands bridge [Co(CNSe)2(CH3OH)] units into zigzag-like chains, which are further connected by pyrimidine ligands into layers parallel to (010).In the title compound, [Co DOI: 10.1107/S160053681002060X/hy2313Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex cation, the CdII ion is chelated by two bis\u00adbenzyl\u00adamine (babb) ligands in a distorted octa\u00adhedral geometry. Extensive C\u2014H\u22efO hydrogen bonding occurs between cations and anions in the crystal structure.The crystal structure of the title compound, [Cd(C DOI: 10.1107/S1600536811019180/xu5213Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The protonated imine groups are involved in intra\u00admolecular N\u2014H\u22efO hydrogen bonds to the phenolate O atomss, emphasizing the zwitterionic nature of the ligand. An O\u2014H\u22efO hydrogen bond links the complex and solvent mol\u00adecules.In the title mononuclear salen-type complex, [Eu(NO DOI: 10.1107/S1600536810046076/gk2295Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII atoms are each coordinated by four N atoms from two pyridine ligands and two thio\u00adcyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio\u00adcyanato anions within a slightly distorted octa\u00adhedral coordination environment. The CdII atoms are \u03bc-1,3-bridged via the thio\u00adcyanato anions into polymeric chains parallel to [001]. The CdII\u22efCdII intra\u00adchain separations range between 5.9688\u2005(6) and 6.0195\u2005(6)\u2005\u00c5, whereas the shortest CdII\u22efCdII inter\u00adchain separations are 7.8272\u2005(7) and 8.6312\u2005(6)\u2005\u00c5.The asymmetric unit of the title compound, [Cd(NCS) DOI: 10.1107/S1600536811009871/bt5493Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII cation is chelated by the carbonyl O atom, the imine N atom and the pyridine N atom, which causes a slight loss of planarity for the ligand; the dihedral angle between the aromatic rings is 4.61\u2005(8)\u00b0.In the mononuclear title complex, [ZnCl DOI: Click here for additional data file.10.1107/S1600536812049355/bh2455Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The bridging ligands generate a three-dimensional structure.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536810042406/ng5050Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each heptanedioato ligand bridges three Mg atoms, generating polymeric layers parallel to the bc plane. The polymeric layers related by translation along the a axis inter\u00adact further via O\u2014H\u22efO hydrogen bonds, which consolidate the crystal packing.In the title compound, [Mg DOI: 10.1107/S1600536811015492/cv5076Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each PdII atom lies on a center of inversion and is four-coordinated by two monoanionic forms of the amino\u00adacryl\u00adaldehyde in a square-planar geometry. In the crystal, adjacent mol\u00adecules are connected through C\u2014H\u22ef\u03c0 and C\u2014H\u22efO inter\u00adactions into a three-dimensional polymeric structure.The asymmetric unit of the title compound, [Pd(C DOI: 10.1107/S1600536811022069/is2718Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The third Li+ cation on a general position is four-coordinated by two anion O atoms and two N atoms from acetonitrile mol\u00adecules in a tetra\u00adhedral geometry. In the title compound, [Li DOI: 10.1107/S1600536811011561/si2342Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The IrIII atom adopts a distorted octa\u00adhedral geometry coordinated by two N atoms in the axial positions, and two C and two O atoms in the equatorial plane. The dihedral angle between the two thia\u00adzole ring systems in the complex is 77.45\u2005(10)\u00b0.The title complex, [Ir(C DOI: 10.1107/S1600536813018394/is5287Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A short intra\u00admolecular S\u22efS contact [2.6984\u2005(8) and 2.6977\u2005(8)\u2005\u00c5] occurs in each S2Fe2(CO)6 fragment. The fused bis-butterfly-shaped title compound, [Fe DOI: 10.1107/S1600536811041936/ng5239Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, O\u2014H\u22efCl hydrogen bonds link the mol\u00adecules into [100] chains.In the title compound, [NiCl DOI: 10.1107/S160053681103128X/hb6336Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the NdIII ions is nine-coordinated by seven O atoms from four hpaa ligands, an N atom from a bipy ligand and an O atom from a water mol\u00adecule in a distorted tricapped trigonal-prismatic geometry. The hpaa ligands are coordinated to the NdIII ions in the bridging and bridging tridentate modes. Extensive O\u2014H\u22efO, O\u2014H\u22efN and C\u2014H\u22efO hydrogen bonding stabilizes the crystal structure.The title complex, [Nd DOI: 10.1107/S1600536810043023/pv2337Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810038298/hb5649Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The orientations of the two six-membered chelate rings in the complex cation are in an anti chair\u2013chair conformation with respect to each other. The Cr\u2014N bond lengths are 2.087\u2005(6) and 2.097\u2005(6)\u2005\u00c5. The Cr\u2014Cl and Zn\u2014Cl bond lengths are 2.3151\u2005(16) and 2.3255\u2005(13)\u2005\u00c5, respectively. Weak inter\u00admolecular hydrogen bonds involving the tn NH2 groups as donors and chloride ligands of the anion and cation as acceptors are observed.In the title compound, [CrCl DOI: 10.1107/S1600536812023355/nk2158Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "It crystallizes with four formula units in the tetra\u00adgonal space group I4/mmm in the UGeTe structure type. The asymmetric unit comprises one U (site symmetry 4mm), one Se (4mm), and one P (mmm.) atom. The U atom is coordinated in a monocapped square-anti\u00adprismatic arrangement, where the square face is formed by P atoms and the other five vertices are Se atoms. The P site is disordered about a mirror plane, showing half-ocupancy for each of the two resulting P atoms. The title structure is related to that of \u03b1-UPSe, which crystallizes with two formula units in the tetra\u00adgonal space group P4/nmm in the PbFCl structure type.\u03b2-UPSe was synthesized from the reaction of U DOI: 10.1107/S1600536811049592/wm2560Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The fifth coord\u00adination position, located on the central Cu\u2014O axis on the outside of the cluster, is occupied by an N atom of the mono\u00addentate 1-(pyridin-2-ylmeth\u00adyl)-1H-benzimidazole ligand. The resulting coordination geometry of the metal ion is a distorted trigonal bipyramid with the O and N atoms in the axial positions. The dihedral angle between the benzimidazole ring system and the pendant pyridine ring is 61.0\u2005(2)\u00b0.The title tetra\u00adnuclear complex, [Cu DOI: 10.1107/S1600536811035252/hb6384Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Desulfurization took place readily to form an Fe4S3 cluster. The mol\u00adecule consists of two similar [(\u03bc-2-C4H3O\u2014CH2S)Fe2(CO)6] moieties joined to a spiro-type four-coordinate \u03bc4-S atom such that this bridging sulfur is tetra\u00adhedrally coordinated to the four Fe atoms. In each diiron subcluster core, the 2-furyl\u00admethane\u00adthiol\u00adate ligand bridges the two Fe atoms.The title compound, [Fe DOI: 10.1107/S1600536810022634/jh2165Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere of silver is formed by two P atoms of two triphenyl\u00adphosphine ligands, one O atom of a perchlorate anion and one O atom of a methanol mol\u00adecule. The crystal structure is stablized by a bifurcated inter\u00admolecular O\u2014H\u22efO hydrogen bond, involving the O\u2014H donor from methanol and two acceptor O atoms from the perchlorate anion, so forming a zigzag chain propagating in [010].In the title complex, [Ag(ClO DOI: 10.1107/S160053681002814X/su2191Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efI hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings [centroid\u2013centroid distance = 3.790\u2005(2)\u2005\u00c5] are present in the crystal structure.In the centrosymmetric dinuclear title compound, [Cd DOI: 10.1107/S1600536810041681/hy2362Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal coordination units are connected by bridging imidazole-4,5-dicarboxyl\u00adate and sulfate ligands, generating a heterometallic layer. The layers are stacked along the a axis via N\u2014H\u22efO, O\u2014H\u22efO, and C\u2014H\u22efO hydrogen-bonding inter\u00adactions, generating a three-dimensional framework.In the title compound, [Yb DOI: 10.1107/S1600536811045673/pv2472Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, as well as \u03c0\u2013\u03c0 inter\u00adactions between phen ligands and between phen and spia ligands , result in a three-dimensional supra\u00admolecular structure.In the title compound, [Cu(C DOI: 10.1107/S160053681100746X/hy2409Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each pda2\u2212 anion acts as a \u03bc3-bridge, linking CdII atoms to form one-dimensional slabs extending parallel to [010]. In the crystal, adjacent mol\u00adecules are linked through N\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds into a three-dimensional network.In the title coordination polymer, [Cd(C DOI: 10.1107/S1600536811030509/wm2517Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In addition, there is a Zn\u22efS contact involving a symmetry-related S atom which, when considered, forms a pseudo-square-pyramidal coordination with respect to the ZnII ion. Three of the ethyl groups are disordered over two sites with occupancy ratios of 0.841\u2005(10):0.159\u2005(10), 0.802\u2005(10):0.198\u2005(10) and 0.457\u2005(13):0.543\u2005(13). Weak intra\u00admolecular C\u2014H\u22efN and C\u2014H\u22efS inter\u00adactions contribute to the stability of the mol\u00adecular conformation. Inter\u00admolecular C\u2014H\u22efS contacts, weak C\u2014H\u22ef\u03c0 inter\u00adactions and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centriod distances = 3.832\u2005(4) and 3.850\u2005(5)\u2005\u00c5] contribute to the stabilization of the crystal structure.In the title compound, [Zn(C DOI: 10.1107/S1600536810028588/lh5086Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "C\u2014H\u22efO\u2014H inter\u00adactions.The title compound, [Fe(C al. 2006. Acta Cr DOI: 10.1107/S1600536811047775/tk5015Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intramolecular C\u2014H\u22efO hydrox\u00adyl\u2013carboxyl hydrogen bond occurs in the anion.In the structure of the title salt, C DOI: 10.1107/S1600536810024888/ez2219Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure contains two uncoordinated water mol\u00adecules. In the crystal, N\u2014H\u22efO, O\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridine rings of the pydc ligands, with a centroid\u2013centroid distance of 3.4582\u2005(18)\u2005\u00c5, stabilize the structure.In the title compound, (C DOI: 10.1107/S1600536811024366/hy2434Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule exhibits a planar macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (\u039424) of 0.01\u2005\u00c5 and an average Ni\u2014N bond length of 1.960\u2005(2)\u2005\u00c5. The NiII atom lies on a center of inversion. The structure presents a rare example for a planar nickel(II) porphyrin, as meso-substituted nickel(II) porphyrins with either only meso-aryl or with meso-alkyl residues typically exhibit a ruffled conformation.The title compound, [Ni(C DOI: 10.1107/S1600536810021434/ng2783Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The agreement index, wR, has been reduced from 0.159 to 0.087 and the global instability index from 0.56 vu to the acceptable value of 0.11 vu.The structure originally reported as poly[[\u03bc The original structure determination of this compound was reported by Liu 2011. The bon3H6NO5S)(H2O)] = 0.038wR(F2) = 0.087S = 1.101740 reflections118 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.39 e \u00c5\u22123\u0394\u03c1min = \u22120.35 e \u00c5\u22123\u0394\u03c1PROCESS-AUTO global, I. DOI: 10.1107/S1600536812009683/sj5205Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ag atom exists in a distorted tetra\u00adhedral geometry. The H atom of the carboxyl\u00adate is midway between two O atoms of the two carboxyl groups, thus forming a strong intra\u00admolecular hydrogen bond. In the title 1:1 silver(I) 4-carb\u00adoxy\u00adpyridine-3-carboxyl\u00adate adduct with triphenyl\u00adphosphine, [Ag(C DOI: 10.1107/S1600536810033350/bt5322Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74\u2005(15) and 16.30\u2005(13)\u00b0. In the crystal, there is a \u03c0\u2013\u03c0 stacking inter\u00adaction involving two symmetry-related pyrazole rings, with a centroid\u2013centroid distance of 3.664\u2005(3)\u2005\u00c5. In addition, there is a relatively short inter\u00admolecular contact between C atoms [C\u22efC = 3.399\u2005(6)\u2005\u00c5] involving symmetry-related pyridine rings along the a axis.In the title complex, [Cd(NCS) DOI: 10.1107/S1600536810051275/lh5181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions self-assemble into polymeric chains via W\u2014S\u2014Ag bridges having a [AgS4W] repeat unit; the W\u2014Ag\u2014W and Ag\u2014W\u2014Ag angles are 161.657\u2005(17) and 153.978\u2005(9)\u00b0, respectively. The title complex is isostructural with the Y, Yb, Eu, Nd, La and Dy isomorphs.The Sm atom in the cation of the title salt, {[Sm(NO For the al. 2007; Zhang 2(C6H18N3OP)4][AgS4W] = 0.031 wR(F 2) = 0.078 S = 1.03 9738 reflections532 parametersH-atom parameters constrainedmax = 1.16 e \u00c5\u22123 \u0394\u03c1min = \u22121.06 e \u00c5\u22123 \u0394\u03c1 CrystalClear used to solve structure: SHELXTL I, global. DOI: 10.1107/S1600536811035574/rz2631Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each oxalate anion chelates to two FeII ions, forming chains along the a axis. The chains are further connected by O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds, stabilizing the structure. An intra\u00admolecular O\u2014H\u22efN inter\u00adaction results in a five-membered ring.In the title complex, [Fe(C DOI: 10.1107/S1600536810030023/pv2297Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The five-coordinate Sn atom exists in a distorted trigonal\u2013bipyramidal geometry with the mol\u00adecules connected by weak C\u2014H\u22efF inter\u00admoleclar inter\u00adactions, forming supra\u00admolecular chains parallel to [010].In the title compound, [Sn(CH For industrial applications and the biological activity of organotin compounds, see: Duboy & Roy 2003. For rel3)3(C7H3F2O2)] = 0.032 wR(F 2) = 0.073 S = 1.17 2165 reflections140 parametersH-atom parameters constrainedmax = 0.76 e \u00c5\u22123 \u0394\u03c1min = \u22120.69 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811025608/jj2092Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional supra\u00admolecular framework is generated through N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title compound, [Co(C N-heterocyclic carb\u00adoxy\u00adlic acids, see: Peng et al. 2(H2O)2] = 0.035 wR(F 2) = 0.088 S = 1.01 1775 reflections181 parameters3 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.27 e \u00c5\u22123 \u0394\u03c1min = \u22120.43 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811032545/bt5574Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The amine N\u2014H group and pyridine N atom are syn allowing for the formation of centrosymmetric eight-membered {\u22efHNCN}2 synthons via N\u2014H\u22efN hydrogen bonds. The two-mol\u00adecule aggregates are sustained in the three-dimensional crystal packing via C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance for pyridyl rings = 3.7535\u2005(12)\u2005\u00c5]The title amine, C DOI: 10.1107/S1600536811044059/hg5117Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044059/hg5117Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular conformation is stabilized by intra\u00admolecular O\u2014H\u22efO hydrogen bonds.In the title compound, [Ni(HCOO) DOI: 10.1107/S1600536811050859/vm2139Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the pyridine and the cyclo\u00adpropyl rings is 95.4\u2005(8)\u00b0.In the title compound, [ZnBr DOI: 10.1107/S1600536810025201/hb5526Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The substituents at the indolizine unit are twisted with single bonds between the central unit and the attached pyridine ring [1.459\u2005(3)\u2005\u00c5] and the pyridinoyl group [1.483\u2005(3)\u2005\u00c5]. There are no classical hydrogen bonds in the crystal structure.Methyl\u00adation of [1-hy\u00addroxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone was performed DOI: 10.1107/S160053681203396X/gg2090Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S160053681203396X/gg2090Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, weak C\u2014H\u22efF hydrogen bonds link the complex cations and hexa\u00adfluorido\u00adphosphate anions into a three-dimensional supra\u00admolecular structure.In the title compound, [CoRu(C DOI: 10.1107/S1600536813028195/hy2638Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Rb+ cation is nine-coordinated by O atoms from four 3,5-dinitro\u00adbenzoate anions and three neutral 3,5-dinitro\u00adbenzoic acid ligands. The metal atom is firstly linked by four bridging carboxyl groups, forming a binuclear motif, which is further linked by the nitro groups into a two-dimensional framework along the [110] direction. A short O\u2014H\u22efO hydrogen bond between two adjacent carboxy/carboxylate groups occurs.The asymmetric unit of the title compound, [Rb(C DOI: 10.1107/S160053681102513X/aa2010Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each organic cation exhibits a chair conformation with the methyl group in the equatorial position. They are segregated into alternating layers parallel to (100) and stacked along [100]. The first cation is arranged in parallel stacks in a herringbone pattern with rows of [CuCl4]2\u2212 anions fitting between the stacks and with a Cl\u2212 ion directed into the inter\u00adior of the layer. The second organic cation forms distorted hcp layers that separate the other organic cation/[CuCl4]2\u2212 slabs. N\u2014H\u22efCl hydrogen bonding between the cations and the anions consolidates the crystal packing.The structure of the title compound, (C DOI: 10.1107/S1600536811016382/wm2484Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "C\u2014H\u22efO hydrogen bonds link the complex mol\u00adecules to form a chain parallel to the b axis.In the title compound, [Co(C DOI: 10.1107/S1600536810032174/dn2591Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hydrazone mol\u00adecule is coordinated to the CuII atom in a tridentate manner in the enolic form, creating five- and six-membered chelate metallarings. The pyridine mol\u00adecule completes the square-planar base of the copper coordination environment. The crystal structure displays zigzag polymeric Cu\u2014O\u2014Cu chains along [001]. Several weak \u03c0\u2013\u03c0 inter\u00adactions between benzothia\u00adzole rings were found in the same direction .In the title compound, [Cu(C DOI: 10.1107/S160053681004986X/rk2250Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are inter\u00admolecular C\u2014H\u22efO hydrogen bonds that show a laminar growth in the ab plane.In the crystal of the title compound, [Ni(CO DOI: Click here for additional data file.10.1107/S1600536813006521/ru2049Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efCl and O\u2014H\u22efCl hydrogen bonds link the mol\u00adecules into a two-dimensional network parallel to the bc plane.In the title compound, [Zn(C DOI: 10.1107/S1600536811008166/pv2395Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the three rings formed by the ethyl\u00adenediamine units and the CoIII metal ion are in slightly distorted twist conformations. Numerous O\u2014H\u22efO, N\u2014H\u22efO, N\u2014H\u22efI and O\u2014H\u22efI inter\u00admolecular hydrogen bonds between the cation and two anions in concert with the four water mol\u00adecules dominate the crystal packing and create a supra\u00admolecular infinite three-dimensional framework.The title compound, [Co(C DOI: 10.1107/S1600536810033143/bt5324Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The penta\u00admethyl\u00adcyclo\u00adpenta\u00addienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexa\u00admethyl\u00adene\u00adtetra\u00admine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF4\u2212 anion reside on crystallographic mirror planes. The Fe\u2014N bond length is 2.069\u2005(2) and the Fe\u2014Cp*(centroid) distance is 1.7452\u2005(3)\u2005\u00c5.In the title compound, [Fe(C DOI: 10.1107/S1600536812026360/fj2565Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angle between the mean planes of the two coordinating ligands is 83.65\u2005(5)\u00b0. The crystal packing is consolidated by weak C\u2014H\u22efN hydrogen-bonding inter\u00adactions.In the title compound, [Zn(C DOI: 10.1107/S1600536812009592/wm2598Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions result in a three-dimensional supra\u00admolecular architecture.In the title compound, [Ce(C DOI: 10.1107/S1600536811052688/ez2275Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Pr(III) atom is in a pseudo-bicapped square-anti\u00adprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and six O atoms, four from two 2,6-dihy\u00addroxy\u00adbenzoate (DHB) ligands and the other two from nitrate anions. \u03c0\u2013\u03c0 stacking inter\u00adactions between the phen and DHB ligands [centroid\u2013centroid distances = 3.518\u2005(2) and 3.778\u2005(2)\u2005\u00c5] and the phen and phen ligands [face-to-face separation = 3.427\u2005(6)\u2005\u00c5] of adjacent complexes stabilize the crystal structure. Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are observed in the DHB ligands.The mononuclear title complex, [Pr(C DOI: 10.1107/S1600536810049767/fj2366Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are assembled by C\u2014H\u22efO hydrogen bonding and \u03c0\u2013\u03c0 inter\u00adactions between bipy groups [centroid\u2013centroid distances = 3.7686\u2005(16) and 3.7002\u2005(16)\u2005\u00c5] into a three-dimensional network. The nitrite anion is equally disordered over two sets of sites.In the title compound, [Cu(NO DOI: 10.1107/S1600536811002571/kp2303Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The macrocyclic 24-membered ring core is planar with a mean deviation of 0.0311\u2005(15)\u2005\u00c5 and the four-coordinate AgII cation fits into its center, at 2.0814\u2005(19) and 2.0872\u2005(19)\u2005\u00c5, from the surrounding pyrrole-N atoms, in agreement with what is found in related compounds. The p-heptyl\u00adoxyphenyl groups are rotated 75.51\u2005(5) and 84.45\u2005(8)\u00b0 with respect to the porphyrin mean plane, due to steric hindrance with the pyrrole-H atoms of the macrocycle.The title compound, [Ag(C DOI: 10.1107/S160053681103385X/bg2416Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex possesses crystallographically imposed inversion symmetry, with the Mo atom residing on an inversion centre (1a Wyckoff position). The two tri\u00adphenyl\u00adphosphane groups are arranged in a staggered orientation. Each of the phenyl groups exhibits significantly different Mo\u2014P\u2014C\u2014C torsion angles ranging from 2.6\u2005(2) to 179.4\u2005(1)\u00b0, most likely due to steric inter\u00adactions based upon their positions relative to the carbonyl ligands. The well known title compound, DOI: 10.1107/S1600536814000300/pj2007Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814000300/pj2007Isup3.cmlSupporting information file. DOI: CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "An ethanol solvent mol\u00adecule is also found in the asymmetric unit. The structure displays O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding. In the title complex, [Mn(C DOI: 10.1107/S1600536810021288/pv2284Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the hexa\u00adnuclear unit, the six octa\u00adhedrally coordinated NiII atoms are linked by four \u03bc1,1,1-azide and four \u03bc1,1-azide bridges, forming a face-sharing Ni6N8 tetra\u00adcubane-like unit with four missing corners. The NiII atoms are further bridged by four \u03bc1,2-carboxalate groups. Neighbouring hexa\u00adnuclear units are connected via N\u2014H\u22efO hydrogen-bonding inter\u00adactions into a three-dimensional structure. Although the H atoms of the methanol OH groups could not be located, O\u22efN/O contacts between 2.65 and 2.86\u2005\u00c5 suggest that these mol\u00adecules participate in hydrogen bonding.The crystal structure of the title compound, [Ni DOI: 10.1107/S1600536811003473/wm2438Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two symmetry-related O,O\u2032-dithio\u00adphosphate anions are located on either side of the NiII cation, with Ni\u22efS of 3.9558\u2005(5)\u2005\u00c5, and link to the tetra\u00adamine macrocycle ligand via N\u2014H\u22efS hydrogen bonding.In the crystal structure of the title compound, [Ni(C PS2], see: Feng et al. ](C6H4O2PS2)2 = 0.036 wR(F 2) = 0.087 S = 1.04 3103 reflections197 parametersH-atom parameters constrainedmax = 0.40 e \u00c5\u22123 \u0394\u03c1min = \u22120.27 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811050951/xu5399Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The oxalate anion is located on an inversion centre and bridges two metal ions, resulting in a polymeric structure with infinite zigzag chains extending parallel to [010].In the crystal structure of the title compound, [Zn(C DOI: 10.1107/S1600536811030479/wm2511Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It forms phenolate-bridged out-of-plane dimers with Mn\u22efOphenolate distances of 2.667\u2005(2)\u2005\u00c5 between pairs of inversion-related mol\u00adecules. In the crystal, there are offset inter-complex face-to-face \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distances = 3.598\u2005(2)\u2005\u00c5] involving one of the benzene rings of the ligands.In the title compound, [Mn(C DOI: 10.1107/S1600536811004594/pk2299Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 1,1\u2032-methyl\u00adenebis(1H-imidazole) ligands adopt a bis-monodentate bridging mode linking two CoII atoms.The title compound, [Co DOI: 10.1107/S1600536811010610/jh2275Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efO hydrogen bonds generate a three-dimensional hydrogen-bonding network, which consolidates the crystal packing.The asymmetric unit of the title compound, [Co(C DOI: 10.1107/S1600536810023810/cv2723Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Rb cation is eight-coordinated by O atoms from five 3,5-dinitro\u00adbenzoate anions. On the other hand, each 3,5-dinitro\u00adbenzoate anion links five Rb cations with the carboxyl\u00adate groups as \u03bc3-bridging. The metal atom is firstly linked by the carboxyl\u00adate groups into a chain along the c-axis direction, which is further linked by bonds between the Rb and nitro O atoms, giving a three-dimensional framework.The asymmetric unit of the title compound, [Rb(C DOI: 10.1107/S1600536811023026/go2012Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the mean planes of the two coordinating ligands is 85.65\u2005(5)\u00b0. Weak C\u2014H\u22efS hydrogen bonds are also observed.The title compound, [Zn(C DOI: 10.1107/S1600536812013529/wm2612Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom is displaced out of the C3Sn girdle of the trans-C3SnO2 trigonal-bipyramidal polyhedron in the direction of the covalently-bonded O atom [Sn\u2014O\u2014C = 137.63\u2005(11)\u00b0] by 0.247\u2005(1)\u2005\u00c5; the geometry is distorted towards an octa\u00adhedron by a remote O atom of the meth\u00adoxy subsituent [Sn\u22efO = 3.019\u2005(1)\u2005\u00c5]The formyl\u00admeth\u00adoxy\u00adnitro\u00adphenoxide ions in the polymeric title compound, [Sn(C DOI: 10.1107/S1600536811016436/jh2283Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Additional weak N\u2014H\u22efO inter\u00adactions stabilize the crystal packing. The adamantane cage consists of three fused cyclo\u00adhexane rings in almost ideal chair conformations, with C\u2014C\u2014C angles in the range 107.9\u2005(10)\u2013111.3\u2005(11)\u00b0.In the crystal structure of the title compound, C DOI: 10.1107/S1600536811034763/pk2344Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811034763/pk2344Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The octahedral [Zn(H2O)6]2+ cations, solvent water mol\u00adecules and anions inter\u00adact via O\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.The title compound, [Zn(H DOI: 10.1107/S1600536810027972/jh2181Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The VV atom is six-coordinated by the N,N,O-tridentate Schiff base ligand, one methano\u00adlate O atom, one methanol O atom and one oxide O atom, forming a distorted octa\u00adhedral geometry. The methanol O atom lies trans to the V=O group. The dihedral angle between the pyridine ring and the naphthalene ring system is 31.52\u2005(10)\u00b0. In the crystal, inversion dimers linked by pairs of O\u2014H\u22efN hydrogen bonds occur.The title oxovanadium(V) complex, [V(C DOI: 10.1107/S1600536811039766/hb6424Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atoms are bridged by two carboxyl\u00adate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units inter\u00adact with each other through two types of \u03c0\u2013\u03c0 inter\u00adactions between the L ligands [shortest centroid\u2013centroid distance = 3.646\u2005(3)\u2005\u00c5] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794\u2005(3)\u2005\u00c5]. N\u2014H\u22efO, O\u2014H\u22efN and O\u2014H\u22efO hydrogen bonds are observed, which lead to a three-dimensional structure.In the title compound, [Co DOI: 10.1107/S1600536810017629/hy2303Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bis\u00ad(diphenyl\u00adarsino)methane ligand bridges an Ru\u2014Ru bond and the monodentate arsine ligand bonds to the third Ru atom. All arsine ligands are equatorial with respect to the Ru3 triangle. Each Ru atom carries one equatorial and two axial terminal carbonyl ligands. The three methyl\u00adsulfanyl-substituted benzene rings make dihedral angles of 70.02\u2005(8), 82.85\u2005(9) and 89.49\u2005(8)\u00b0 with each other. The dihedral angles between the two phenyl rings are 78.25\u2005(9) and 86.59\u2005(9)\u00b0 for the two diphenyl\u00adarsino groups. In the crystal, weak inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions are observed.The asymmetric unit of the title DOI: 10.1107/S1600536810032812/is2586Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Sm atom is in a pseudo-bicapped square-anti\u00adprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy\u00addroxy\u00adbenzoate (DHB) ligands and the other two from a nitrate anion. \u03c0\u2013\u03c0 stacking inter\u00adactions between phen and DHB ligands [centroid\u2013centroid distance = 3.528\u2005(4) and 3.812\u2005(3)\u2005\u00c5], and phen and phen ligands [face-to-face separation = 3.420\u2005(10)\u2005\u00c5] of adjacent complexes stabilize the crystal structure. Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are observed in the DHB ligands.The title mononuclear complex, [Sm(C DOI: 10.1107/S1600536810047136/su2228Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4,4\u2032-diazenediyldibenzoate anions do not coordinate to Ag. O\u2014H\u22efO hydrogen bonds stabilize the crystal structure.In the title compound, [Ag DOI: 10.1107/S1600536811008816/bt5474Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic cation has an inversion center at the mid-point of the ethane C\u2014C bond. In the anion, the PbII atom is coordinated by six I atoms in a distorted octa\u00adhedral geometry. The I atoms bridge the PbII atoms into a polymeric chain running along [001]. These inorganic chains are separated by the isolated organic cations.The title compound, {(C DOI: 10.1107/S160053681102006X/hy2435Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO hydrogen bonding is present in the crystal structure. A short O\u22efO contact of 2.816\u2005(8)\u2005\u00c5 is observed between the nitrate anions of adjacent mol\u00adecules.In the title compound, [Zn(NO DOI: 10.1107/S1600536811018010/xu5211Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, these dimeric units are connected through Cu\u2014O bonds, forming one-dimensional coordination polymers, which propagate along [001]. The CuII atom adopts a square-based pyramidal coordination geometry, being coordinated by two N and two O atoms of symmetry-related ligands and by a third O atom of a neighboring complex. Furthermore, inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.786\u2005(2)\u2005\u00c5] and C\u2014H\u22efO inter\u00adactions stabilize the crystal packing.The asymmetric unit of the title coordination polymer, [Cu(C DOI: 10.1107/S1600536811009949/su2263Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak C\u2014H\u22efS and C\u2014H\u22efN inter\u00adactions are observed.The Ni DOI: 10.1107/S1600536811053475/gk2438Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the azide group uses its terminal ends to bridge whereas the nitrite group chelates to one metal atom and uses one of its O atoms to bridge. The azide and nitrite groups are disordered with respect to each other in a 1:1 ratio. Adjacent dinuclear mol\u00adecules are further bridged by the other two azide groups, generating a linear chain motif parallel to [010]. Half of the Pb atoms show a \u03a8-dodeca\u00adhedral coordination and the other half show a \u03a8-penta\u00adgonal-bipyramidal coordination.The title coordination polymer, [Pb DOI: 10.1107/S1600536810022907/xu2775Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular N\u2014H\u22efO hydrogen bonds link the complex mol\u00adecules into layers parallel to (10In the title complex, [Ni(C DOI: 10.1107/S1600536811018824/hy2425Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each 5-methyl\u00adisophthalate ligand acts as a \u03bc2-bridge, linking two CoII atoms and forming chains which are further linked by 1,4-bis\u00ad(1H-imidazol-4-yl)benzene ligands into a two-dimensional network parallel to (In the title coordination polymer, [Co(C DOI: 10.1107/S1600536811025657/bg2404Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PdII ion has a trans-Cl2N2 square-planar coordination geometry defined by two N atoms from two 4-phenyl\u00adpyridine ligands and two Cl\u2212 anions. In the refinement, the pyridine ring and the phenyl ring were found to be disordered over two sites with the site-occupancy factors being 0.53\u2005(2) and 0.51\u2005(1), respectively, for the major components.The asymmetric unit of the title complex, [PdCl II complex [PtCl2(C11H9N)2]\u00b7H2O, see: Ha 2] = 0.029 wR(F 2) = 0.077 S = 1.05 2358 reflections165 parametersH-atom parameters constrainedmax = 1.25 e \u00c5\u22123 \u0394\u03c1min = \u22120.51 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S160053681105063X/tk5025Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The azotetra\u00adzolate ligand displays a bridging coordination mode, forming an infinite zigzag chain. Inter\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonding and offset face-to-face \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.4738\u2005(13)\u2005\u00c5] lead to a three-dimensional network.In the title compound, {[Fe(C DOI: 10.1107/S1600536810039632/ng5036Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the complex, there is an intra\u00admolecular N\u2014H\u22efN hydrogen bond. In the crystal, the binuclear units are connected by inter\u00admolecular N\u2014H\u22efCl hydrogen bonds, as well as \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.526\u2005(2) and 3.696\u2005(2)\u2005\u00c5], forming a two-dimensional layered structure parallel to (010).In the centrosymmetric binuclear title complex, [Hg DOI: 10.1107/S1600536811029886/su2294Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ru(II) atom has a typical piano-stool coordination. The Ru\u2014P bond lengths are 2.284\u2005(2) and 2.235\u2005(2)\u2005\u00c5. NMR and MS analyses are in agreement with the structure of the title compound.Facile ligand substitution is observed when the ruthenium chloride complex [Ru(\u03b7 DOI: 10.1107/S1600536810053006/rn2075Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds connect the components into a two-dimensional network parallel to (001). In addition, there are weak C\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(C DOI: 10.1107/S1600536811047453/lh5361Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dimeric aggregates thus formed are arranged in rows with their terminal NH2 groups forming N\u2014H\u22efO hydrogen bonds with neighbouring aggregates to form a two-dimensional array in the ac plane with an overall T-shaped topology. Layers inter\u00addigitate along the b axis being connected by C\u2014H\u22efO, C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 [centroid\u2013centroid distance = 3.6316\u2005(19)\u2005\u00c5] inter\u00adactions.The constituents of the title co-crystal, C DOI: 10.1107/S1600536810034094/hg2707Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This core has acute P\u2014In\u2014P and obtuse In\u2014P\u2014In bond angles compared with other [R 2InPR\u20322]2 analogues, due to the presence of the bulky aromatic substituents on the In atom and the non-sterically demanding ethyl substituents on the P atom.The title compound, [In DOI: 10.1107/S1600536811042668/fj2456Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing features N\u2014H\u22efO hydrogen bonds and weak C\u2014H\u22efO inter\u00admolecular inter\u00adactions.In the crystal structure of the title solvated molecular salt, C DOI: 10.1107/S1600536811004545/jj2074Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Zn atom is coordinated by two chloride ions and two N atoms from two symmetry-independent organic ligands and shows a distorted tetra\u00adhedral coordination geometry. The 1,1\u2032-diimidazole ligands are located around two sets of inversion centers and bridge ZnII ions, forming a zigzag polymeric chain. C\u2014H\u22efCl hydrogen bonding results in the formation of a three-dimensional supra\u00admolecular networkThe title one-dimensional coordination polymer, [ZnCl DOI: 10.1107/S1600536810046611/gk2314Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal used was a merohedral twin, the refined ratio of twin components being 0.820\u2005(1):0.180\u2005(1). The crystal structure features weak C\u2014H\u22efF inter\u00adactions, forming a three-dimensional network.In the title compound, [Co(C DOI: Click here for additional data file.10.1107/S1600536812050234/lr2090Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A three-dimensional NaCl-type framework is generated in which the tetra\u00admethyl\u00adammonium cations, which lie across mirror planes and occupy the cavities in the polymer structure, form weak C\u2014H\u22efO hydrogen bonds with the formate ligands.In the title compound, {(C DOI: 10.1107/S1600536813024045/zs2272Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two trans-N:S-bridging thio\u00adcyanates complete the N5S donor set around the Cd atom. In the crystal, adjacent CdII ions are linked by the thio\u00adcyanate N:S-bridges into polymeric chains along the c axis.In the title compound, [Cd(NCS) DOI: 10.1107/S1600536811010063/om2412Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the CoII atom is octa\u00adhedrally coordinated by six N atoms from three 2,2\u2032-bi-1H-imidazole ligands [Co\u2014N bond lengths are in the range 2.084\u2005(5)\u20132.133\u2005(6)\u2005\u00c5]. Inter\u00admolecular N\u2014H\u22efO hydrogen bonds form an extensive hydrogen-bonding network, which links cations and anions into a three-dimensional crystal structure.The title compound, [Co(C DOI: 10.1107/S1600536811037299/aa2021Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing can be described as ClO4 tetra\u00adhedra and CuN4O2 octa\u00adhedra alternating in a zigzag fashion along the c axis. The structure is stabilized by intermolecular N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds, as well as \u03c0\u2013\u03c0 interactions [centroid\u2013centroid distance = 3.7179\u2005(15)\u2005\u00c5].In the title compound, [Cu(ClO DOI: 10.1107/S1600536812029868/zj2084Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The distance between the centroids of the Cp rings is 3.309\u2005(8)\u2005\u00c5. The relative orientation of the two Cp rings is characterized by a torsion angle of \u221243.99\u2005(6)\u00b0 defined by the two centroids and the two substituted C atoms.In the title compound, [Fe(C DOI: 10.1107/S1600536811019398/hy2432Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complex displays a nano-sized porous metal\u2013organic framework that belongs to a topological network.The solvothermal reaction of Co(NO DOI: 10.1107/S1600536811017661/tk2740Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810027595/bt5296Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Cu atom lies on a center of inversion. N\u2014H\u22efO and N\u2014H\u22efF hydrogen bonds give rise to a one-dimensional structure. The BF4 \u2212 anion is disordered over two sites in a 0.671\u2005(10):0.329\u2005(10) ratio.In the title copper(II) salt, [Cu(C DOI: 10.1107/S1600536810031922/ng5003Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII cation is seven-coordinated with a geometry that can be considered as distorted penta\u00adgonal bipyramidal, with the N atom of the N-heterocyclic units occupying the apical sites and the O atoms of the 4-bromo\u00adbenzoate units in the equatorial plane. The middle methyl\u00adene group of the 1,3-bis\u00ad(4-pyrid\u00adyl)propane ligands is located outside of the twofold rotation axis and consequently is disordered over two sites around this symmetry element with fixed occupancies factors of 0.5.The dinuclear complex, [Cd DOI: 10.1107/S1600536811043996/lr2033Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its crystal structure is isotypic to that of FeII5FeIII2(P2O7)4 and can be regarded as a member of the thortveitite structure family with corrugated layers of metal\u2013oxygen polyhedra extending parallel to (010). Significant occupational disorder between cobalt(II) and vanadium(III) is observed. Four of the five cation sites are occupied by both cobalt and vanadium. The fifth cation site (Co1) is occupied by cobalt only. Sites Co1, M3 and M4 are located on twofold axes. Sites Co1, M2, M3 and M4 show o\u00adcta\u00adhedral coordination by oxygen; M5 has a square-pyramidal environment.Co DOI: Click here for additional data file.10.1107/S1600536813008507/br2223Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure comprises undulated cationic [Cd2(TETA)3]4+ chains (TETA is triethyl\u00adene\u00adtetra\u00admine) propagating parallel to [101]. The central CdII atom is six-coordinated in a CdN6 set by three TETA ligands. The isolated [GeF6]2\u2212 units, serving as counter-anions, occupy the inter-chain spaces and simultaneously link adjacent chains into a three-dimensional network through extensive N\u2014H\u22efF hydrogen-bonding inter\u00adactions. One of the ethyl\u00adene bridges of one TETA ligand is disordered around a twofold rotation axis.The title fluoridogermanate, {[Cd DOI: 10.1107/S1600536811033381/wm2519Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 8-hy\u00addroxy-2-methyl\u00adquinolinium cation and the anion are linked to the methanol mol\u00adecules by O\u2014H\u22efO, O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds, generating a linear chain running along [1In the title solvated salt, (C DOI: 10.1107/S1600536811032296/zs2137Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average equatorial Cu\u2014N bond length is shorter than the average axial Cu\u2014N bond length . An N\u2014H\u22efN hydrogen-bonding inter\u00adaction between the secondary amine N atom and the adjacent thio\u00adcyanate ion leads to a polymeric chain along the a axis.In the title thio\u00adcyanate-coordinated aza-macrocyclic copper(II) complex, [Cu(NCS) DOI: 10.1107/S1600536810026632/jh2175Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the cations, anions and water mol\u00adecules into a three-dimensional network.The asymmetric unit of the title complex, [Zn(H DOI: 10.1107/S1600536810021641/er2077Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N\u2014H\u22efBr hydrogen bonds link the organic cations and bioctahedral face-sharing anions into a three-dimensional network.In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813014335/vn2071Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536813014335/vn2071Isup3.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom in the stannate anion is chelated by the pyridine-2-carboxyl\u00adate group and exists in a cis-SnCl4NO octa\u00adhedral geometry. The cation is disordered over two positions in a 0.564\u2005(1):0.436\u2005(1) ratio.The cation and the anion in the title salt, (C DOI: 10.1107/S1600536811005460/si2335Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "III(C15H12N2O3)(C5H5N)3]ClO4, the CoIII ion is coordinated by three pyridine mol\u00adecules and one N\u2032-(3-meth\u00adoxy-2-oxidobenzyl\u00adidene)benzohydrazidate Schiff base ligand in an O,N,O\u2032-tridentate manner. The CoIII ion adopts a distorted CoN4O2 octa\u00adhedral coordination environment.In the mononuclear title compound, [Co DOI: 10.1107/S1600536811004715/mw2001Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom shows a trigonal\u2013bipyramidal coordination, with the pyridyl N atoms occupying the axial positions. The cation, anion and water mol\u00adecules are linked by N\u2014H\u22efCl, N\u2014H\u22efO, O\u2014H\u22efCl and O\u2014H\u22efO hydrogen bonds into a three-dimensional structure.In the title salt, [ZnCl(C DOI: 10.1107/S1600536810045848/ng5060Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The finite tetra\u00adchromate anion in the title structure consists of four vertex-sharing CrO4 tetra\u00adhedra and exhibits a typical zigzag arrangement. The crystal packing is stabilized by hydrogen bonds between these anions and hydro\u00adnium cations. The two different hydro\u00adnium cations are surrounded by nine O atoms of tetra\u00adchromate anions, with O\u22efO distances ranging between 2.866\u2005(8) and 3.282\u2005(7)\u2005\u00c5.The crystal structure of (H DOI: Click here for additional data file.10.1107/S1600536813001608/wm2714Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4\u2032-dipyridinium dication, each located on a centre of inversion. In addition, there are two thio\u00adcyanate anions in general positions. The crystal structure consists of Fe\u2014(NCS)2\u2014Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio\u00adcyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N\u2014H\u22efN and N\u2014H\u22efS hydrogen-bond interactions.In the crystal structure of the title compound, {(C DOI: 10.1107/S1600536811039924/bt5657Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HPAA ligands are coordinated in bis-chelate, bridging and bridging tridentate modes. In the crystal, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the mol\u00adecules into a three-dimensional network.In the title dinuclear complex, [Ho DOI: 10.1107/S1600536811001115/lx2179Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The solvent water mol\u00adecules are lodged in the channels.In the crystal structure of the title monohydrate salt, [ZnCl(C DOI: 10.1107/S1600536810052682/bg2383Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two bromo-substituted benzene rings is 10.1\u2005(3)\u00b0.In the title complex, [Ni(C DOI: 10.1107/S1600536812004321/lh5411Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "III ion in the title compound, [SmCl3(C12H10N2O)3], shows a coordination number of nine with a slightly distorted tricapped trigonal prismatic geometry based on a Cl3N6 donor set. The mol\u00adecular structure is stabilized by three intra\u00admolecular O\u2014H\u22efCl hydrogen bonds.The Sm DOI: 10.1107/S1600536812008100/tk5061Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "These chains are further assembled into (100) layers via \u03c0\u2013\u03c0 stacking inter\u00adactions between inversion-related chromenone fragments [inter\u00adplanar distance = 3.376\u2005(2)\u2005\u00c5].In the crystal structure of the title compound, C DOI: 10.1107/S1600536813015511/gk2575Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813015511/gk2575Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "One of the bridging Hg\u2014Cl bonds is significantly longer than the other.In the centrosymmetric dinuclear title complex, [Hg DOI: 10.1107/S1600536811004703/gk2347Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The stereochemistry about each FeCl3O centre is distorted tetra\u00adhedral [Fe\u2014Cl = 2.2176\u2005(5)\u20132.2427\u2005(5)\u2005\u00c5 and Fe\u2014O = 1.7545\u2005(2)\u2005\u00c5]. The Cl atoms are involved in weak anion\u2013cation C\u2014H\u22efCl inter\u00adactions, giving a network structure.In the title compound (C DOI: 10.1107/S1600536810024098/zs2046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average terminal and bridging Ge\u2014S bond lengths are 2.164\u2005(2) and 2.272\u2005(8)\u2005\u00c5, respectively. The dimeric inorganic anions and the organic piperazinium cations are organized into a three-dimensional network by N\u2014H\u22efS hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536812022040/mw2068Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The \u03bc5-bridging mode of the dianon and the \u03bc2-bridging mode of the water mol\u00adecule generate a polymeric three-dimensional network which is consolidated by O\u2014H\u22efO hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.In the crystal structure of the polymeric title compound, [Sr(C DOI: 10.1107/S1600536811047313/xu5381Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pendant methyl group of the central propane-1,2-diamine fragment of the ligand is statistically disordered over two sets of positions. In the crystal, weak aromatic \u03c0\u2013\u03c0 stacking between pyridine rings [centroid\u2013centroid separation = 3.7081\u2005(17)\u2005\u00c5] may help to establish the packing.In the title complex, [Ni(NCS) DOI: 10.1107/S1600536810029454/hb5571Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mpdc anion is also located on the twofold rotation axis and bridges five ZnII cations, forming the three-dimensional polymeric complex. Weak C\u2014H\u22ef\u03c0 inter\u00adactions are present in the crystal structure.In the polymeric title complex, [Zn(C DOI: 10.1107/S1600536811024172/xu5247Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the Ni2+ ion is coordinated by six N atoms from three ethyl\u00adenediamine ligands in a distorted octa\u00adhedral geometry. The complex ions and water mol\u00adecules are linked by weak N\u2014H\u22efN/O and O\u2014H\u22efN/O hydrogen bonds into a three-demensional structure.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536811001449/hy2388Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere around each copper ion has a distorted tetra\u00adhedral geometry, with ligation by two bridging bromide ions, an amine N atom and an imine N atom. The thio\u00adphene ring is disordered over two sites, with occupancies of 0.719\u2005(3) and 0.281\u2005(3). Weak C\u2014H\u22ef\u03c0 inter\u00adactions feature in the crystal packing.In the crystal structure of the title compound, [Cu DOI: 10.1107/S1600536812017989/fj2540Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The L ligand and Cl\u2212 anions bridge adjacent Cd cations, forming a polymeric chain along the b axis; the separation between adjacent Cd cations is 3.619\u2005(1)\u2005\u00c5. In the crystal, the polymeric chains are inter\u00adlinking through N\u2014H\u22efCl hydrogen bonds between the L ligands and Cl\u2212 anions.In the title coordination polymer, [CdCl DOI: 10.1107/S1600536811027048/xu5265Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two zinc ions have different coordination environments: one is slightly distorted octa\u00adhedral and the other is trigonal\u2013pyramidal. The conformation of the gabapentin mol\u00adecule is defined by the formation of two intra\u00admolecular O\u2014H\u22efO hydrogen bonds. Furthermore, the ammonium H atoms are involved in numerous hydrogen bonds with the disordered nitrate anions.As the title gabapentin complex, [Zn DOI: 10.1107/S1600536811011020/ez2233Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stablized by weak inter\u00admolecuar C\u2014H\u22ef\u03c0 and N\u2014H\u22ef\u03c0 inter\u00adactions.In the title mol\u00adecule, C DOI: 10.1107/S1600536810029788/lh5094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere of the Sn(IV) ion is completed by a monochelating oxalate anion and a water mol\u00adecule. The Sn(IV) atoms are thus seven-coordinated. The discrete binuclear units are further connected by hydrogen bonds, leading to a supra\u00admolecular crystal structure. The asymmetric unit contains one half dianion and one (Cy2NH2)+ cation.The structure of the title compound, (C DOI: 10.1107/S1600536810046738/bh2310Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the cations are linked by C\u2014H\u22ef\u03c0 inter\u00adactions, forming chains along the a axis. Intra\u00admolecular C\u2014H\u22efN and inter\u00admolecular C\u2014H\u22efF hydrogen bonds are also observed.In the cation of the title compound, [Cu(C DOI: 10.1107/S160053681005186X/rz2534Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two unique NiII cations are N,N\u2032,N\u2032\u2032,O-chelated by carbox\u00adimid\u00adamid\u00adate(2\u2212) and carboximidamidate(1\u2212) anions, forming a distorted four-coordinate planar structure, while the other two NiII atoms are N,N\u2032,O,O\u2032-chelated by the same bridging ligands and two pyridine mol\u00adecules, affording six-coordinated metals in an octa\u00adhedral geometry. The cation is isostructural with the complex crystallized with perchlorate counter-ions in place of nitrate.The title compound, [Ni DOI: 10.1107/S1600536811052524/bh2397Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The triethyl\u00adammonium cations and complex anions are linked by N\u2014H\u22efO hydrogen bonds into chains parallel to [100]. Disordered water mol\u00adecules (occupancy ratio 0.6:0.4) occupy the voids in the crystal structure.In the title compound, [NH(C DOI: 10.1107/S1600536811011196/zk2002Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Both YIII ions are coordinated by two N atoms from the 1,10-phenanthroline, seven O atoms from five glutarate groups in a distorted tricapped trigonal\u2013prismatic geometry. The YIII ions are bridged by glutarate ligands in three modes, forming a layered, polymeric structure. The resulting layers are assembled by \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distances = 3.740\u2005(3) and 3.571\u2005(3)\u2005\u00c5] into a three-dimensional supra\u00admolecular architecture.In the title complex, [Y DOI: 10.1107/S1600536811027188/kp2336Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This allowed an unambiguous assignment of the hydrogen-bonding pattern, which is similar to that of the isotypic phosphate analogue (NH4)2HPO4. The structure of the title compound consists of slightly distorted AsO3(OH) and NH4 tetra\u00adhedra, linked into a three-dimensional structure by an extensive network of O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In comparison with the original determination based on Weissenberg film data [Khan al. 1970. Acta Cr DOI: Click here for additional data file.10.1107/S1600536812043565/hb6976Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The gold(I) atoms are 3.4873\u2005(7)\u2005\u00c5 apart. The mol\u00adecule exhibits a crystallographic twofold rotation axis.The title compound, [Au DOI: 10.1107/S1600536810050506/br2152Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The diphosphadiborane mol\u00adecule consists of an ideal planar four-membered B2P2 ring with an additional phenyl and a \u2013PPh2 group attached to each B atom.In the title compound, C DOI: 10.1107/S1600536812011361/yk2048Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "DOI: Click here for additional data file.10.1107/S1600536812045461/sj5274Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The P\u2014Ag\u2014P angles are in the range 108.02\u2005(6)\u2013110.15\u2005(6)\u00b0, which confirms the distorted tetra\u00adhedral environment around the Ag atom.In the title compound, [Ag(C DOI: 10.1107/S1600536811040670/ff2029Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The \u03b76-coordination mode of the arene incorporated into the structure was generated in situ after addition of methyl tri\u00adfluoro\u00admethane\u00adsulfonate to the neutral \u03b75-arene tethered precursor complex [RuCl(PPh3)(\u03b75:\u03ba1-OC6H4C(NiPr2)=N-PPh2)] in di\u00adchloro\u00admethane solution. In the title compound, [RuCl(C DOI: 10.1107/S1600536813029450/cq2007Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813029450/cq2007Isup3.cdxSupplementary material file. DOI: 968713 crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each CeIII ion is nine-coordinated by one 1,10-phenanthroline mol\u00adecule, two O atoms from a chelating carboxyl\u00adate, two O atoms derived from a \u03bc3-carboxylate and two O atoms derived from two \u03bc2-carboxylate ligands in a distorted CeN2O7 monocapped square-anti\u00adprismatic geometry.In the centrosymmetric binuclear title complex, [Ce DOI: 10.1107/S1600536811036129/wm2527Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the pairs of benzene rings attached to each As atom are 84.63\u2005(9) and 77.15\u2005(8)\u00b0. In the crystal, mol\u00adecules are linked by C\u2014H\u22efO inter\u00adactions, forming infinite chains along the a axis. The crystal structure is further stabilized by C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, [Cr(C DOI: 10.1107/S1600536811032314/ng5210Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The effective cone angles for the two phosphane ligands are 160 and 169\u00b0. C\u2014H\u22efCl inter\u00adactions generate infinite long chains along [01-1]. Additional C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 stacking interactions [centroid\u2013centroid distance = 4.2499\u2005(15)\u2005\u00c5 and ring slippage = 2.386\u2005\u00c5] are observed.In the mononuclear title compound, DOI: Click here for additional data file.10.1107/S160053681204696X/ng5305Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The inter-polyhedral Sb\u2014Cl bonds define a square-shape. In the crystal, the components are linked by N\u2014H\u22efCl, C\u2014H\u22efCl and C\u2014H\u22efO hydrogen bonds, generating a three-dimensional network.The title compound, (C DOI: 10.1107/S160053681002057X/hb5440Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One Eu, two Sb, and the Cd atom have site symmetry m..; two other Eu, the third Sb and the O atom have site symmetry m2m; the remaining Eu atom has 2/m.. symmetry. Eu atoms fill penta\u00adgonal channels built from corner-sharing CdSb4 tetra\u00adhedra. The isolated O atom, i.e., an oxide ion O2\u2212, is located in a distorted tetra\u00adhedral cavity formed by four Eu cations.The title compound, Eu DOI: 10.1107/S1600536811000274/mg2112Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each P6O18 ligand acts as a bridge, linking two CdII atoms and forming an anionic coordination polymer [Cd(P6O18)4\u2212]n extending along [010]. Adjacent polymeric chains are connected through N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds, generating a three-dimensional supra\u00admolecular network.Cyclo\u00adhexa\u00adphospho\u00adric acid (P DOI: 10.1107/S160053681104133X/ff2028Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The angles at the copper cation, which lies on a twofold rotation axis, are Cl\u2014Cu\u2014Cl = 142.84\u2005(4)\u00b0, Cl\u2014Cu\u2014S = 94.80\u2005(2) and 99.97\u2005(2)\u00b0, and S\u2014Cu\u2014S = 132.46\u2005(4)\u00b0. The planes of the two imidazolium rings make a dihedral angle of 76.92\u2005(8)\u00b0.The mol\u00adecular structure of the title compound, [CuCl DOI: Click here for additional data file.10.1107/S1600536813006879/nc2307Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom in the anion is N,O-chelated by a pyrazine-2-carboxyl\u00adate in a cis-SnNOCl4 octa\u00adhedral geometry.In the reaction of pyrazine-2-carb\u00adoxy\u00adlic acid and stannic chloride in methanol, one equivalent of the carb\u00adoxy\u00adlic acid is methyl\u00adated at the 4-amino site and is also esterified, yielding the title salt, (C DOI: 10.1107/S1600536811001929/si2325Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The absolute configuration at the stereogenic S-atom center was determined as S. The crystal structure is stabilized by inter\u00admolecular C\u2014H\u22efO contacts.In the title compound, C DOI: 10.1107/S1600536811041420/bt5660Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811041420/bt5660Isup3.cdx Supplementary material file. DOI: 10.1107/S1600536811041420/bt5660Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The TbIII cation is coordinated by six O atoms from six methacrylate anions and two O atoms from a chelating nitrate anion in a distorted square-anti\u00adprismatic geometry. Each CoII ion is coordinated by three O atoms from three methyl\u00adacrylate anions and two N atoms of a 2,2\u2032-bypiridine ligand in a distorted square-pyramidal geometry. In the crystal structure, \u03c0\u2013\u03c0 stacking between the pyridine rings [centroid\u2013centroid distances = 3.682\u2005(8) and 3.760\u2005(8)\u2005\u00c5] is observed and weak inter\u00admolecular C\u2014H\u22efO hydrogen bonding is also present.In the title trinuclear cobalt\u2013terbium complex, [Co DOI: 10.1107/S1600536810031053/xu5010Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the cations, polyoxoanions and uncoordinated water mol\u00adecules.In the title organic\u2013inorganic hybrid compound, (C DOI: 10.1107/S1600536811018149/hy2428Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuII ion is in a distorted square-pyramidal coordination with one N and two O atoms from the Schiff base ligand and one N atom from the heterocycle in the basal positions and one carboxyl\u00adate O atom from a neighbouring ligand in the apical position. The apical Cu\u2014O bonds are much longer than the basal Cu\u2014O and Cu\u2014N bonds. The carboxyl\u00adate groups of the Schiff base ligands bridge the CuII ions, forming helical chains along [100]. The crystal packing is stabilized by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.The asymmetric unit of the title compound, {[Cu(C DOI: 10.1107/S1600536811000304/wm2441Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each of the two independent cations exhibits a chair conformation; the anion deviates slightly from an tetrahedral configuration. The Zn\u2014Br distances in the anion are in the range of 2.3996\u2005(9)\u20132.4247\u2005(9)\u2005\u00c5. All of the amine H atoms are involved in bifurcated inter\u00admolecular N\u2014H\u22efBr hydrogen bonds, building up a trimer.The title compound, (C DOI: 10.1107/S1600536811026766/ru2007Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two pyridyl planes are inclined with dihedral angles of 59.1\u2005(2) and 61.84\u2005(19)\u00b0 with respect to the PtCl2N2 plane. In the crystal, the complex mol\u00adecules display inter- and intra\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions, with centroid-centroid distances of 3.806\u2005(5)\u20133.845\u2005(5)\u2005\u00c5, which form a one-dimensional column structure along the a axis.In the title complex, DOI: 10.1107/S160053681004393X/is2622Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An iodide ligand completes the coordination sphere, with the seven-coordinate BiIII atom adopting a highly distorted monocapped octa\u00adhedral geometry.The title compound, [Bi(C DOI: 10.1107/S1600536813033515/sj5375Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "DOI: 10.1107/S1600536811013274/bt5511Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The RuII atom adopts a distorted octa\u00adhedral RuCl2P4 coordination geometry with the two trans-disposed P atoms occupying the axial positions. The packing of the structure is accomplished through non-classical C\u2014H\u22efCl hydrogen bonds between the benzene solvent mol\u00adecule and one of the Cl ligands.The title compound, DOI: 10.1107/S1600536810049706/wm2431Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The nickel(II) cations are connected by \u03bc-1,3-bridging formato anions and N,N\u2032-bridging pyrazine ligands into a three dimensional coordination network. The asymmetric unit consists of one nickel(II) cation, one water mol\u00adecule and two crystallograph\u00adically independent formato anions in general positions as well as two crystallographically independent pyrazine ligands, which are located on centers of inversion.In the title compound, [Ni(CHO DOI: 10.1107/S1600536811011913/bt5501Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These ligands are located in trans positions. The \u2013(CH2)3\u2013 moiety in the DMPU ligand is disordered over two positions in a 0.786\u2005(11):0.214\u2005(11) ratio.The title compound, [U(NO DOI: 10.1107/S1600536810049883/kj2159Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Cu(NO3)2(C20H40N4)], is N,N\u2032,N\u2032\u2032,N\u2032\u2032\u2032-chelated by the macrocyclic ligand: the four N atoms form a square, above and below which are located the O atoms of the nitrate ions. The metal atom exists in a tetra\u00adgonally distorted octa\u00adhedron, on a special position of The Cu DOI: 10.1107/S1600536812001845/xu5440Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two chelating NCCN groups subtend a dihedral angle of 82.21\u2005(9)\u00b0. The CdII ion, the S atom and the middle C atom of the propane-1,3-diol solvent mol\u00adecule are located on special positions, site symmetry 2. The solvate features a pair of O\u2014H\u22efO hydrogen bonds with the uncoordinated O atoms of the sulfate ion. The OH group of the propane-1,3-diol solvent is disordered over two positions of equal occupancy.In the title compound, [Cd(SO DOI: 10.1107/S1600536810022518/bq2222Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atoms are connected by the ligands to form chains running parallel to the b axis. \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid-to-centroid distances 3.757\u2005(2)\u20133.820\u2005(2)\u2005\u00c5] and weak Ag\u22efO inter\u00adactions further link the chains to form a layer network parallel to the ab plane. The AgI cation is disordered over two positions, with refined site-occupancy factors of 0.73\u2005(3):0.27\u2005(3).In the title coordination polymer, [Ag(C DOI: 10.1107/S1600536810043199/rz2505Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom is four-coordinated by the phenolate O atoms and imine N atoms from two Schiff base ligands, in a highly distorted square-planar geometry. The O- and N-donor atoms are mutually trans and the dihedral angle between the two benzene rings is 55.8\u2005(3)\u00b0.The title compound, [Cu(C DOI: 10.1107/S1600536810025481/sj5030Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The four-coordinate Ag atom has a seesaw coordination geometry with a \u03c44 index of 0.51. The tetra\u00adfluoridoborate anion is disordered over two orientations with 0.568\u2005(10):0.432\u2005(10) occupancies.The reaction of 2-acetylpyridine with silver(I) tetra\u00adfluorido\u00adborate leads to the discrete title complex, [Ag(C DOI: 10.1107/S1600536810048014/zs2079Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tridentate acetohydrazide ligand occupies three basal positions, the fourth basal position being defined by a chloride anion at a distance of 2.2116\u2005(6)\u2005\u00c5. The second chloride anion is in the apical position and forms a longer Cu\u2014Cl distance of 2.4655\u2005(7)\u2005\u00c5. Inter\u00admolecular N\u2014H\u22efCl hydrogen bonds are present in the crystal, leading to the formation of chains along [10In the title compound, [CuCl DOI: 10.1107/S1600536811049671/wm2553Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Extensive O\u2014H\u22efO hydrogen-bonding inter\u00adactions between the cations, anions and water mol\u00adecules stabilize the three-dimensional network.In the title compound, [Mn(H DOI: 10.1107/S1600536810022300/hy2318Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HgII atoms are four-coordinated in a distorted tetra\u00adhedral geometry by two N atoms from a 2,2\u2032-dimethyl-4,4\u2032-bi-1,3-thia\u00adzole ligand and two Br atoms. In the crystal structure, inter\u00admolecular C\u2014H\u22efBr hydrogen bonds and \u03c0\u2013\u03c0 contacts between the thia\u00adzole rings [centroid\u2013centroid distances = 3.670\u2005(3) and 3.614\u2005(2)\u2005\u00c5] stabilize the structure.The asymmetric unit of the title compound, [HgBr DOI: 10.1107/S1600536810051494/hy2386Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the title compound, the [V2PO8] framework is built up from infinite pyramidal [V2O8]\u221e and [VPO7]\u221e chains linked together by V\u2014O\u2014P bridges, leading to a three-dimensional framework which delimits two types of inter\u00adsecting tunnels running along [100] and [010] in which the four unique K+ ions, showing coordination numbers of nine and ten, are located.A new vanadium oxide, potassium bis\u00ad(dioxovanad\u00adyl) phosphate, \u03b2-K(VO DOI: Click here for additional data file.10.1107/S1600536812049884/fi2128Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The asymmetric unit contains two Tb sites (site symmetries 3.2 and m2m), one Li site (site symmetry m) and one Sn site (site symmetry m2m). The 14-vertex Frank\u2013Kasper polyhedra are typical for Li and Tb atoms. The environment of the Sn atom is a pseudo-Frank\u2013Kasper polyhedron with a coordination number of 13 for the tin atom. One of the Tb atoms is enclosed in a 17-vertex polyhedron. The metallic type of bonding was indicated by an analysis of the inter\u00adatomic distances.The new ternary phase penta\u00adterbium lithium tris\u00adtannide, Tb DOI: 10.1107/S1600536811041328/ff2031Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation is linked to the anion by an N\u2014H\u22efO hydrogen bond.The reaction of 4-(dimethyl\u00adamino)\u00adpyridine, picolinic acid and stannic chloride yields the title salt, (C DOI: 10.1107/S160053681201968X/bt5909Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two Cl atoms adopt a trans arrangement to the two pyridyl N atoms, while the third Cl atom and the O atoms occupy the axial site. The Rh\u2014Cl bonds that are trans to the pyridyl N atoms are slightly longer than the Rh\u2014Cl bond distance trans to the O atom.In the title compound, [RhCl DOI: 10.1107/S1600536811027644/om2440Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The overall symmetry of the anion is m2m. The {Mo4O14(OH)} core is composed of two pairs of confacial biocta\u00adhedral {Mo2O9} units with two \u03bc4-O atoms which have been characterized as hydroxyl groups. The anions are further inter\u00adconnected by potassium cations, forming a three-dimensional network structure with the uncoordinated water mol\u00adecules occupying the channels. The structure is further stabilized by O\u2014H\u22efO hydrogen bonding.The title arsenatomolybdate, K DOI: 10.1107/S1600536810054176/fi2098Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two dppm ligands, two dpp ligands and two trifluoro\u00adacetate anions bridge four metal atoms, forming a centrosymmetric tetra\u00adnuclear complex. Intra\u00admolecular C\u2014H\u22efO hydrogen bonds and a weak \u03c0\u2013\u03c0 inter\u00adaction [centroid\u2013centroid distance = 3.9804\u2005(13)\u2005\u00c5] are also observed.In the cation of the title compound, [Ag DOI: 10.1107/S1600536811045466/rz2658Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Br aroms are trans-disposed as a result of symmetry.The title complex, [RuBr DOI: Click here for additional data file.10.1107/S1600536813000871/hy2613Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The hy\u00addroxy group forms an intra\u00admolecular O\u2014H\u22efO hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.The deprotonated Schiff base ligand in the title compound, [Ni(C DOI: 10.1107/S1600536810031065/bt5315Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The HgII atoms exist in a linear coordination geometry [C\u2014Hg\u2014C = 178.9\u2005(2) and 180\u00b0] formed by two carbene C atoms from the imidazole rings. In the crystal, the cations and anions are connected via C\u2014H\u22efF hydrogen bonds, forming a three-dimensional network.The asymmetric unit of the title complex, [Hg(C N-heterocyclic carbenes, see: Herrmann 2](PF6)2 = 0.032 wR(F 2) = 0.087 S = 1.06 7062 reflections559 parametersH-atom parameters constrainedmax = 1.71 e \u00c5\u22123 \u0394\u03c1min = \u22122.05 e \u00c5\u22123 \u0394\u03c1 APEX2 used to solve structure: SHELXTL global, I. DOI: 10.1107/S1600536811032235/is2765Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Moreover, inter\u00admolecular C\u2014Cl\u22efCl\u2014C halogen inter\u00adactions (Cl\u22efCl = 3.442\u2005\u00c5) are found between the building blocks.In the crystal structure of the title compound, [ZnCl DOI: 10.1107/S1600536811020447/nc2231Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic cation is essentially planar, with a maximum deviation of 0.013\u2005(1)\u2005\u00c5. In the crystal structure, the ions and mol\u00adecules are linked into a pseudo-layered three-dimensional supra\u00admolecular network via O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds. Weak inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions further stabilize the crystal structure [centroid\u2013centroid distance = 3.5231\u2005(4)\u2005\u00c5].In the title compound, (C DOI: 10.1107/S1600536810026693/hb5536Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands are coordinated in a chelate fashion, forming three five-membered rings. In the crystal, translationally related complex molecules are organized into columns along [001] via C\u2014H\u22efO hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536811043303/hy2479Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is characterized by a C\u2014H\u22efO hydrogen-bonded ribbon structure approximately parallel to [10In the title compound, [Zn(C DOI: 10.1107/S1600536811019854/ng5159Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry around gold is inter\u00admediate between linear-dicoordinate and tetra\u00adhedral with an S\u2014Au\u2014S angle of 161.49\u2005(3)\u00b0.In the title compound, [Au(C DOI: 10.1107/S1600536810029326/dn2589Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ReI atom is coordinated by two N atoms from a 2-phenyl-5-(pyridin-2-yl-\u03baN)-1,3,4-oxadiazole (L) ligand, three C atoms from three carbonyl groups and a Br atom in a distorted octa\u00adhedral geometry. The three rings in L are almost coplanar , and the carbonyl ligands are coordinated in a fac arrangement.In the title rhenium(I) complex, [ReBr(C DOI: 10.1107/S1600536810052360/nk2078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The FeII cation is located on a twofold rotation axis and is O,O\u2032-chelated by two 2-{5-[(2-carb\u00adoxy\u00adphen\u00adyl)sulfanylmeth\u00adyl]-2,4-dimethyl\u00adbenzyl\u00adsulfan\u00adyl}benzoate anions and further coordinated by two pyridine ligands in a distorted octa\u00adhedral geometry. In the anion, the terminal benzene rings are oriented at dihedral angles of 63.81\u2005(14) and 84.50\u2005(14)\u00b0 with respect to the central benzene ring. Inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonding is present in the crystal structure.The title compound, [Fe(C DOI: 10.1107/S1600536810054619/xu5127Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The distribution of Mo\u2014O bond lengths in the Lindqvist isopolyanion is consistent with other structures containing the same unit. In the crystal, the cations and anions are linked by C\u2014H\u22efO inter\u00adactions.In the title compound, [Co(C DOI: 10.1107/S1600536810020775/hb5476Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the 3-methyl\u00adanilinium cations link with the complex antimonate anions and Cl\u2212 anions via N\u2014H\u22efCl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811049087/xu5391Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal studied was a non-merohedral twin with the minor domain being in a 15.8\u2005(1)% proportion.The Sn(IV) atom in the title compound, [Sn(C DOI: 10.1107/S1600536810048300/hg2755Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each purinate ligand chelates two ZnII cations through two imidazole N atoms of the purinate anion ligand, leading to the formation of a three-dimensional network.In the title compound, [Zn(C DOI: 10.1107/S1600536812011245/vn2034Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angles formed by the pyridine rings of the bpy ligands are 8.86\u2005(12) and 10.12\u2005(14)\u00b0. In the crystal, the cations and anions are linked by C\u2014H\u22efF hydrogen bonds into a three-dimensional network.In the cation of the title compound, [Ru(CH DOI: 10.1107/S1600536811053864/rz2684Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule contains two fused six-membered rings, which both display a chair conformation. In the crystal, mol\u00adecules are linked into chains propagating along the b axis by inter\u00admolecular O\u2014H\u22efO hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811004454/fj2393Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging of S atoms of the ligands leads to the formation of a one-dimensional structure along [001].In the title compound, [Cd(C DOI: 10.1107/S1600536810043977/hy2367Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The [Zn(H2O)6]2+ cation is connected with the one-dimensional tubelike chain through weak classical O\u2014H\u22efO and O\u2014H\u22efN hydrogen-bonding inter\u00adactions as well as through electrostatic inter\u00adactions. One of the two uncoordinated water molecules exhibits half-occupancy.The title coordination polymer, {[Zn(H DOI: 10.1107/S1600536811022835/br2168Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the discrete mononuclear units are linked into a three-dimensional network via O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds. C\u2014H\u22efO inter\u00adactions are also observed.In the title complex, [Ni(C DOI: 10.1107/S1600536811031072/ds2128Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent Zn2+ cations, with a separation of 8.807\u2005(2)\u2005\u00c5, are linked by two 3-(3-pyrid\u00adyl)benzoate ligand bridges, generating an infinite ribbon extending parallel to [001].In the title compound, [Zn(C For a s al. 2008. 12H8NO2)2] = 0.042 wR(F 2) = 0.095 S = 1.08 3616 reflections280 parametersH-atom parameters constrainedmax = 0.26 e \u00c5\u22123 \u0394\u03c1min = \u22120.29 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811021404/ng5177Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete L ligand is generated by crystallographic inversion symmetry and serves to bridge the cobalt ions into a chain propagating in [1In the title coordination polymer, {[Co(CHO DOI: 10.1107/S160053681105505X/hb6531Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each 5-amino\u00adisophthalate anion acts as a \u03bc3-bridge linking symmetry-related ZnII ions into a layered polymeric structure parallel to (100). The asymmetric unit also comprises a disordered crystal water molecule located on an inversion centre with 0.25 occupancy. In the crystal, N\u2014H\u22efO hydrogen bonds form a three-dimensional network.In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811050045/kp2352Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050045/kp2352Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular C\u2014H\u22efO hydrogen bond occurs while the components are linked by an N\u2014H\u22efO interaction. The crystal packing is stablized by O\u2014H\u22efN hydrogen bonds and C\u2014H\u22efO interactions.In the title compound, C DOI: 10.1107/S1600536812011750/gg2077Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812011750/gg2077Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The methyl-substituted thio\u00adphene arm and the pyridine ring are connected to the metal cation through N atoms to form a six-membered chelate ring with a boat conformation, making the complex stable.In the title compound, [PdCl DOI: Click here for additional data file.10.1107/S1600536812049240/bh2466Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two six-membered chair chelate rings in the complex cation are in an anti conformation with respect to each other. The Cr\u2014N bond lengths range from 2.0831\u2005(18) to 2.0917\u2005(19)\u2005\u00c5, and the Cr\u2014Cl bond lengths are 2.3148\u2005(6) and 2.3135\u2005(6)\u2005\u00c5. The perchlorate anions have slightly distorted tetra\u00adhedral geometries. Weak inter\u00admolecular hydrogen bonds involving the tn ligand NH groups as donors, and chloride ligands and anion O atoms as acceptors are observed.In the title compound, [CrCl DOI: 10.1107/S1600536811006349/nk2086Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the centrosymmetric dinuclear title compound, [Sn2(C4H9)4(C7H3NO4)2(H2O)2], exists in a trans-C2SnNO4 penta\u00adgonal\u2013bipyramidal geometry. There are two half-mol\u00adecules in the asymmetric unit that are completed by inversion symmetry. The crystal studied was a non-merohedral twin with a ratio of 47.3\u2005(1)% for the minor twin component. Bond dimensions are similar to those found in the tetra\u00adgonal polymorph . O\u2014H\u22efO hydrogen-bonding interactions stabilize the crystal packing.The Sn al. 1989. Acta Cr DOI: 10.1107/S1600536811002935/bt5468Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chains, made up from Cu\u2014Cl\u2014Cu\u2014N\u2014Cu linkages, are aligned parallel to the c axis. This architecture is further stabilized by a number of N\u2014H\u22efCl hydrogen bonds involving the protonated charge-compensating dimethyl\u00adamine cations and chloride atoms.The crystal structure of the title complex, {(C DOI: 10.1107/S1600536811050537/zb2020Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The side chain of the ligand is disordered over two sets of sites in a 0.655\u2005(12):0.345\u2005(12) ratio. In the crystal, mol\u00adecules are linked by N\u2014H\u22efS hydrogen bonds, generating [100] chains.In the title compound, [Zn(NCS) DOI: 10.1107/S1600536811019945/hb5892Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three CrIII atoms form vertices of a nearly equilateral triangle. Each of the six acetate carboxyl\u00adate groups bridges a Cr\u2014O\u2014Cr fragment. In the crystal, the molecules inter\u00adact with methanol solvent mol\u00adecules through O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds, forming a two-dimensional hydrogen-bonded network parallel to (100).In the crystal structure of the title complex, [Cr DOI: 10.1107/S1600536811039699/ds2137Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each pair of double-stacked dications is surrounded by a ring of ten nitrate anions. An intricate three-dimensional N---H...O and N---H... hydrogen-bonding network exists in the crystal structure.The crystal structure of the title compound, C DOI: 10.1107/S1600536811042929/lr2031Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811042929/lr2031Isup3.mol Supplementary material file. DOI: 10.1107/S1600536811042929/lr2031Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its coordination sphere is completed by a chloride ligand and 2-(sec-butyl\u00adimino\u00admeth\u00adyl)quinoline. The dihedral angle between the \u03b76-arene ring and the quinoline Schiff base is 45.64\u2005(9)\u00b0. The sec-butyl substituent and the PF6 \u2212 anion are disordered over two positions with ratios of 0.595\u2005(11):0.405\u2005(11) and 0.752\u2005(8):0.248\u2005(8), respectively.In the title compound, [RuCl(C DOI: 10.1107/S1600536810033003/bt5317Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The I atom and one of the O atoms from a DME ligand lie in the axial positions while the other O atoms lie in the basal plane. The other iodide anion is outside the complex cation.In the title complex, [CaI(C DOI: 10.1107/S160053681200075X/hy2505Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Ce atom is in a pseudo-bicapped square-anti\u00adprismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy\u00addroxy\u00adbenzoate (DHB) ligands and the other two from a nitrate anion. \u03c0\u2013\u03c0 stacking inter\u00adactions between phen and DHB ligands [centroid\u2013centroid distances = 3.513\u2005(3) and 3.762\u2005(2)\u2005\u00c5] and phen and phen ligands [face-to-face separation = 3.423\u2005(7)\u2005\u00c5] of adjacent complexes stabilize the crystal structure. Intra\u00admolecular O\u2014H\u22efO hydrogen bonds are observed in the DHB ligands.The mononuclear title complex, [Ce(C DOI: 10.1107/S1600536810049755/kj2166Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional supra\u00admolecular network is built from the uncoordinated nitrate anion, the water mol\u00adecule and the cation through O\u2014H\u22efO hydrogen bonds.In the title compound, [Ag(C DOI: 10.1107/S1600536810020945/ng2780Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The complete octa\u00admolbydate unit is generated by crystallographic inversion symmetry. The polyhedral connectivity leads to [100] chains in the crystal and N\u2014H\u22efO and N\u2014H\u22ef hydrogen bonds help to consolidate the packing. In the hydro\u00adthermally prepared title compound, [Mo DOI: 10.1107/S1600536810025286/hb5511Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Co atom is 0.0187\u2005(8)\u2005\u00c5 out of the mean plane of the four equatorial N atoms. The structure has an O\u22efH\u22efO bridge, which is very common in cobaloxime derivatives, with O\u22efH distances of 1.24\u2005(2) and 1.25\u2005(2)\u2005\u00c5. In the title compound, [Co(C DOI: 10.1107/S1600536811051397/vn2023Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The tolyl substituents are twisted compared to the central aromatic ring system of the porphyrin, similar to what is seen in previously published structures of this molecule [Dastidar & Goldberg and 60.40\u2005(6)\u00b0.In the title complex, [Zn(Cberg 1996. Acta Cr DOI: 10.1107/S1600536810019963/nk2033Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The presence of a PF6 \u2212 anion promotes the existence of an extensive network of weak C\u2014H\u22efX inter\u00adactions.The title compound, [RuBr(C DOI: 10.1107/S1600536811002662/cv5041Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination geometry is inter\u00admediate between square-pyramidal and trigonal-bipyramidal, with a leaning towards the latter. The presence of close intra\u00admolecular C\u2014H\u22efS contacts preclude the S atoms from forming significant inter\u00admolecular inter\u00adactions. Rather, mol\u00adecules are consolid\u00adated in the crystal structure by C\u2014H\u22ef\u03c0 inter\u00adactions.The Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536810033039/hg2701Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the pyrazine ring and the coordinated pyridine rings are 13.3\u2005(2) and 24.8\u2005(2)\u00b0; those between the pyrazine ring and the uncoordinated pyradine rings are 31.3\u2005(2) and 44.2\u2005(2)\u00b0. In the crystal, inversion dimers linked by pairs of weak C\u2014H\u22efBr hydrogen bonds occur.In the title compound, [ZnBr DOI: 10.1107/S1600536810027820/hb5552Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This compound is isostructural with KCuFe(PO4)2 [Badri et al. iron(III) bis\u00ad(phosphate), RbCuFe(PO al. 2011, J. Soli DOI: 10.1107/S1600536813019569/br2226Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, O(water)\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds form a three-dimensional-network.In the title compound, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812044625/qm2087Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The six-membered ring exhibits a boat conformation, with torsion angles of 46.2\u2005(2) and 46.5\u2005(3)\u00b0 for a double-bond and the two attached Csp 3 atoms. The Fe atom is coordinated to all four of the diene C atoms, with bond lengths between 2.041\u2005(2) and 2.117\u2005(2)\u2005\u00c5. The Fe(CO)3 tripod adopts a conformation with one CO ligand eclipsing the Csp 3\u2014Csp 3 single bond.In the title compound, [Fe(C RMs), see: Choi & Otterbein (CO)3] = 0.031 wR(F 2) = 0.078 S = 1.06 3538 reflections212 parametersH-atom parameters constrainedmax = 0.66 e \u00c5\u22123 \u0394\u03c1min = \u22120.62 e \u00c5\u22123 \u0394\u03c1 COLLECT used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811041298/rk2295Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The O atom of the nitrate anion occupies the apical site. The crystal structure features intra\u00admolecular N\u2014H\u22efO hydrogen bonds.Copper nitrate in methanol solution cleaves the N\u2014C DOI: 10.1107/S160053681201241X/xu5488Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The dihedral angles between the central pyridine ring and adjacent pyrazole rings in the ligand are 1.3\u2005(2) and 3.2\u2005(2)\u00b0; the dihedral angles between the pyrazole rings and their pendant phenyl rings are 42.0\u2005(3) and 16.1\u2005(2)\u00b0. The conformation of the anionic complex ion is supported by an intra\u00admolecular N\u2014H\u22efO hydrogen bond. In the crystal, inversion dimers linked by pairs of N\u2014H\u22efO hydrogen bonds occur. The pyridinium cation forms an N\u2014H\u22efN hydrogen bond.In the title compound, (C DOI: 10.1107/S1600536811022653/hb5891Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022653/hb5891Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Classical O\u2014H\u22efO hydrogen bonds link both methanol solvent mol\u00adecules with the nitrate anion.In the title compound, [Co(C DOI: 10.1107/S1600536810032241/si2285Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atom (site symmetry 2) is six-coordinate in a distorted octahedral configuration bonded by two N and two O atoms from two (2-amino\u00adphen\u00adyl)methanol ligands and two O atoms from the two nitrate anions. Crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions.The asymmetric unit of the title compound, [Co(NO DOI: 10.1107/S1600536810032381/jj2052Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal complex lies on a fourfold rotation axis that passes through the Os, N, O and Cl atoms. The NO and Cl ligands are disordered in an 0.511\u2005(12):0.486\u2005(12) ratio.The title compound, [OsCl(NO)(C DOI: 10.1107/S1600536811001401/ng5100Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each Zn ion is coordinated by three carboxyl\u00adate O atoms and one O atom from the bridging hydroxide ion, displaying a slightly distorted tetra\u00adhedral stereochemistry [overall Zn\u2014O range = 1.875\u2005(3)\u20131.987\u2005(2)\u2005\u00c5]. An intra\u00admolecular hydrogen bond involving the hydroxide H atom and a carboxyl\u00adate O-atom acceptor is also present in the complex unit. The bridging benzene-1,3,5-tricarboxyl\u00adate anions generate a three-dimensional framework structure. In the asymmetric unit of title coordination polymer, {(C DOI: 10.1107/S1600536811044485/zs2153Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044485/zs2153Isup4.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked by N\u2014H\u22efCl hydrogen bonds. The ZnII atom has an approximately tetra\u00adhedral coordination geometry.The reaction of 1-bromo\u00admethyl-1,4-diazo\u00adniabicyclo\u00ad[2.2.2]octane bromide, zinc chloride and hydro\u00adchloric acid in water yields the title compound, (C DOI: 10.1107/S1600536811032430/qm2022Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetra\u00adhedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O\u2014H\u22efN hydrogen bonds, which are formed by the O\u2014H donor group from methanol and the N-atom acceptor from a cyanide ligand.The title centrosymmetric complex, [Cu DOI: 10.1107/S1600536810029545/su2196Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII cation is six-coordinated in a distorted octa\u00adhedral geometry formed by two N atoms from the 5,5\u2032-dimethyl-2,2\u2032-bipyridine ligand and four bridging Br\u2212 anions. The bridging function of the Br\u2212 anions leads to a polymeric chain running along the c axis.In the crystal of the title polymeric compound, [CdBr DOI: 10.1107/S1600536812023860/xu5547Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxyl\u00adate in a cis-SnNOCl4 octa\u00adhedral geometry. The cation is linked to the anion by an N\u2014H\u22efO hydrogen bond.In the reaction of pyridine-2-carb\u00adoxy\u00adlic acid and stannic chloride in methanol, one equivalent of the carb\u00adoxy\u00adlic acid is protonated at the amino site and is also esterified, yielding the title salt, (C DOI: 10.1107/S1600536811001930/si2326Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "We confirm the previous studies, but to modern standards of precision and with all H atoms located. The central Ni atom (site symmetry A preliminary X-ray study of the title mol\u00adecular salt, [Ni(CH DOI: 10.1107/S1600536810026668/hb5527Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The independent Ge\u2014O distances within the central Ge2O2 ring, which is essentially planar (r.m.s. deviation = 0.039\u2005\u00c5), are 1.7797\u2005(8) and 1.8568\u2005(8)\u2005\u00c5. The germanium centres adopt a distorted trigonal\u2013bipyramidal geometry, being coordinated by the two O atoms and by one bidentate and one monodentate amidinate ligand (three N atoms). One N-isopropyl group is disordered over two positions; these are mutually exclusive because of \u2018collisions\u2019 between symmetry-equivalent methyl groups and thus each has 0.5 occupancy.The title compound, [Ge DOI: 10.1107/S1600536813032133/zl2570Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "There are no close C\u2014H\u22efCl contacts.The two mol\u00adecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536812014924/bt5833Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014924/bt5833Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two benzene rings are nearly coplanar [dihedral angle = 3.48\u2005(5)\u00b0]. The crystal structure is stabilized by N\u2014H\u22efO hydrogen bonds, which link the mol\u00adecules into chains along the b axis.In the mol\u00adecular structure of the title compound, C DOI: 10.1107/S1600536811048756/bq2320Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048756/bq2320Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is composed of one K+ cation and a polyborate 1 \u221e[B5O7(OH)2]\u2212 anion, which consists of two six-membered rings linked by a common BO4 tetra\u00adhedron. The [B5O7(OH)2]\u2212 units are linked together through two exocyclic O atoms to neighbouring units, forming a helical chain structure extending parallel to [010]. Adjacent chains are further connected into a three-dimensional structure by K\u2014O bonds and weak O\u2014H\u22efO hydrogen-bond inter\u00adactions.The title compound, K[B DOI: 10.1107/S1600536811043807/fi2113Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the biphenyl portion of the mol\u00adecule, the aromatic rings are inclined by 37.8\u2005(2)\u00b0.Iodine adds across both triple bonds of 4,4\u2032-bis\u00ad(prop-2-yn\u00ad\u00adyl\u00adoxy)biphenyl, yielding the 4,4\u2032-bis\u00adbiphenyl title compound, C DOI: 10.1107/S1600536811003874/jh2264Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811040402/bg2419Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxyl\u00adate in a cis-SnNOCl4 octa\u00adhedral geometry. The cation is linked to the anion by an O\u2014H\u22efO hydrogen bond.In the reaction of pyridine-2-carb\u00adoxy\u00adlic acid and stannic chloride in the presence of 2-methyl-8-hy\u00addroxy\u00adquinoline, the 2-methyl-8-hy\u00addroxy\u00adquinoline is protonated, yielding the title salt, (C DOI: 10.1107/S1600536811001942/si2327Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The L 2\u2212 ligands bridge the Mn atoms into an infinite chain motif along [100]; the chains are further inter\u00adlinked by O\u2014H\u22efO hydrogen bonds into a three-dimensional supra\u00admolecular net.In the title coordination polymer, [Mn(C DOI: 10.1107/S1600536811025967/ng5191Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation has crystallographically-imposed C2 symmetry with the metal atom in an almost linear coordination environment [N\u2014Ag\u2014N = 177.01\u2005(17)\u00b0]. The crystal structure displays N\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions.The synthesis of the title salt, [Ag(C DOI: 10.1107/S1600536811021799/mw2006Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular Bi\u22efN nonbonding inter\u00adaction is observed in the distorted trigonal triaryl\u00adbis\u00admuth coordination of the title compound. The title compound, [Bi(C DOI: 10.1107/S1600536810043655/si2298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CdII ion is six-coordinated in a slightly distorted octa\u00adhedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64\u2005(9)\u00b0. An inter\u00admolecular C\u2014H\u22efS hydrogen bond stabilizes the crystal structure.The title compound, [Cd(NCS) DOI: 10.1107/S1600536812002772/bt5786Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The anions, cations and uncoordinated water mol\u00adecules are linked by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, forming a three-dimensional network. One of the five cations is disordered with respect to the ethyl\u00adene portion in a 1:1 ratio.In the cerate(IV) anion of the title salt, (C DOI: 10.1107/S1600536810021811/xu2776Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the cation and anion are linked to the methanol mol\u00adecules by O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds.In the disolvated title salt, (C DOI: 10.1107/S1600536811031461/xu5283Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing exhibits short inter\u00admolecular Ni\u22efNi distances of 3.273\u2005(3)\u2005\u00c5.In the title complex, [Ni(C DOI: 10.1107/S1600536810046088/cv2792Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination polyhedron shows a slightly distorted Archimedean square-anti\u00adprismatic geometry. The crystal packing is stabilized by weak C\u2014H\u22efO inter\u00adactions.In the title compound, [Hf(C DOI: 10.1107/S1600536810030400/bg2349Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Three Cl atoms of the [ZnCl4]2\u2212 tetra\u00adhedron act as acceptors in N\u2014H\u22efCl hydrogen bonds. The hydrogen bonds, both of which are bifurcated, lead to the formation of a three-dimensional network. Within the network, inter\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adactions with a centroid\u2013centroid distance of 3.5911\u2005(7)\u2005\u00c5 arrange the 4-(dimethyl\u00adamino)\u00adpyridinium cations into anti\u00adparallel dimers.In the title compound, (C DOI: 10.1107/S1600536811005010/rk2262Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Ph3P ligands are in trans positions, defining a P\u2014Pd\u2014P angle of 171.78\u2005(5)\u00b0, while the pyrimidinyl and bromide ligands are trans to each other [C\u2014Pd\u2014Br = 174.63\u2005(14)\u00b0].In the title complex, [PdBr(C DOI: 10.1107/S1600536811049348/bg2434Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efN and N\u2014H\u22efO hydrogen bonds are observed in the crystal structure.In the crystal of the title compound, C DOI: 10.1107/S1600536811034982/im2310Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cation adopts a chair conformation. The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efCl hydrogen bonds.In the complex anion of the title compound, (C DOI: 10.1107/S1600536810047689/bx2322Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is controlled by C\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding inter\u00adactions. The crystal employed in this study proved to be a two-component twin around (0In the title compound, (C DOI: 10.1107/S160053681003895X/kj2157Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The InIII ion is six-coordinated and forms a quasi-regular octa\u00adhedral arrangement. In the crystal, alternating layers of cations and anions are arranged parallel to (10via intra- and inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efCl, C\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds, forming a complex three-dimensional network. Additional stabilization within the layers is provided by weak inter\u00admolecular C\u2014H\u22efCl inter\u00adactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811007355/pv2386Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two 2-methyl\u00adbenzimidazole N-atom donors and one terminal thio\u00adcyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N\u2014H\u22efS hydrogen-bonding inter\u00adactions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl\u00adbenzimidazole ring and its symmetry-related counterpart are arranged in an anti\u00adparallel manner with a centroid\u2013centroid separation of 3.6050\u2005(14)\u2005\u00c5, indicative of a \u03c0\u2013\u03c0 inter\u00adaction.The title compound, [Cd DOI: 10.1107/S1600536810042443/pk2278Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic rings is 45.76\u2005(11)\u00b0. In the crystal structure, inter\u00admolecular C\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the mol\u00adecules into chains parallel to the a axis. No \u03c0\u2013\u03c0 stacking inter\u00adactions are observed in the crystal structure.In the title compound, C DOI: 10.1107/S1600536811022264/rz2605Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022264/rz2605Isup3.cdx Supplementary material file. DOI: 10.1107/S1600536811022264/rz2605Isup4.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the central and terminal benzene rings is 39.7\u2005(1)\u00b0. In the crystal, the compound is disposed about a crystallographic mirror plane parallel to the ac plane passing through the two central C atoms. The mol\u00adecules are stacked in columns along the c axis through \u03c0\u2013\u03c0 inter\u00adactions, the shortest centroid\u2013centroid distance being 3.872\u2005(3)\u2005\u00c5.The title compound, C DOI: 10.1107/S1600536811030431/is2759Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atoms are linked by the dianions into zigzag chains running parallel to [11The asymmetric unit of the title compound, {[Ni(C DOI: 10.1107/S1600536810045794/rz2513Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The polyhedral connectivity leads to [100] chains containing alternating centrosymmetric four-rings and eight-rings, with a short d 10\u22efd 10 Ag\u22efAg interaction [2.8846\u2005(4)\u2005\u00c5] across the latter. The nitro groups are oriented at dihedral angles of 21.2\u2005(5) and 64.3\u2005(3)\u00b0 with respect to the aromatic ring of the ligand. A C\u2014H\u22efO inter\u00adaction occurs in the crystal.In the title coordination polymer, [Ag DOI: 10.1107/S1600536811022483/hb5898Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The other \u2013SO3 unit binds to yet another SrII atom. The four coordinated water mol\u00adecules are monodentate but one is disordered over two positions in a 1:1 ratio. The \u03bc3-bonding mode of the dianion generates a polymeric three-dimensional network; the network is consolidated by O\u2014H\u22efO hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.In the crystal structure of the polymeric title compound, {[Sr(C DOI: 10.1107/S1600536811047593/xu5382Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810049081/pk2286Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N\u2014H\u22efO hydrogen-bonding inter\u00adactions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supra\u00admolecular structure. In the title complex, [Zn H-1,3,7,8-tetra\u00adaza\u00adcyclo\u00adpenta\u00ad[l]phenanthren-2-yl)benzoate (HNCP) ligand, see: Yongqin et al. (C20H11N4O2)2]\u00b74H2O = 0.056 wR(F 2) = 0.139 S = 1.02 3783 reflections316 parametersH-atom parameters constrainedmax = 0.94 e \u00c5\u22123 \u0394\u03c1min = \u22120.66 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811040062/bg2420Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811022598/mg2119Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by N\u2014H\u22efO hydrogen bonds, forming C(4) chains propagating in [001].In the title compound, C DOI: 10.1107/S160053681101035X/hb5818Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Important geometrical parameters include Hg\u2014C = 2.079\u2005(4) and 2.087\u2005(4)\u2005\u00c5, Hg\u2014S = 2.3869\u2005(10) and 2.3889\u2005(11)\u2005\u00c5, and C\u2014Hg\u2014S = 166.42\u2005(12) and 168.09\u2005(13)\u00b0. Weak intramolecular Hg\u2014N bonding inter\u00adactions of 2.589\u2005(4) and 2.626\u2005(4)\u2005\u00c5 are observed. In the crystal, C\u2014H\u22efCl, C\u2014H\u22efF, C\u2014H\u22efN, C\u2014H\u22ef\u03c0 and \u03c0\u2013\u03c0 [centroid\u2013centroid distances = 3.648\u2005(3) and 3.641\u2005(3)\u2005\u00c5] inter\u00adactions, create parallel planes along [101].In the title compound, [Hg(C For syn al. 1998; von Esc al. 2008. For det6H5)(C13H9F2N4S)]\u00b70.5CH2Cl2 = 0.032 wR(F 2) = 0.074 S = 1.21 9726 reflections514 parametersH-atom parameters constrainedmax = 3.10 e \u00c5\u22123 \u0394\u03c1min = \u22122.47 e \u00c5\u22123 \u0394\u03c1 APEX2 global, I. DOI: 10.1107/S1600536811050331/zq2140Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "As a result of this difference in the coordination modes, the C\u2014S bond lengths are different, viz. 1.687\u2005(2) and 1.692\u2005(2)\u2005\u00c5 in the bidentate ligand and 1.723\u2005(2)\u2005\u00c5 in the monodentate ligand, whereas the non-coordinating S atom has a C\u2014S distance of 1.649\u2005(2)\u2005\u00c5. The crystal packing is stabilized by C\u2014H\u22efO inter\u00adactions.The title compound, [Pd(C DOI: 10.1107/S1600536811040487/bt5655Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The vinyl groups project into the inter\u00adlamellar space and the structure is held together via van der Waals forces. The Cd2+ ion is six-coordinate and the geometry is best described as distorted octa\u00adhedral, with O\u2014Cd\u2014O angles falling within the range 61.72\u2005(13)\u2013101.82\u2005(14)\u00b0. Five of the coordinated oxygen atoms originate from the phospho\u00adnate group and the sixth from a bound water molecule. Cd\u2014O distances lie between 2.220\u2005(3) and 2.394\u2005(2)\u2005\u00c5. The water mol\u00adecule is hydrogen bonded to a phospho\u00adnate oxygen atom.The title compound, [Cd(C DOI: 10.1107/S160053681100780X/pk2298Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C atom of the aryl ligand occupies the apical position of the BiCN2O3 coordination polyhedron, while the equatorial plane is formed by one O atom of the dmf ligand and two sets of N and O atoms from the chelating 3-hpic ligands. Inter\u00admolecular secondary Bi\u22efO [3.485\u2005(3)\u2005\u00c5] and O\u2014H\u22efO hydrogen-bonding inter\u00adactions connect the complexes into a three-dimensional network. Intramolecular O\u2014H\u22efO hydrogen bonds are also observed.The title organometallic complex, [Bi(C DOI: 10.1107/S1600536810044235/sj5046Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, numerous N\u2014H\u22efCl and bifurcated N\u2014H\u22ef hydrogen bonds link the components.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811049464/hb6519Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the 5-acetyl-2-hy\u00addroxy\u00adbenzoate anion, the hy\u00addroxy group links with the carboxyl\u00adate group via an intra\u00admolecular O\u2014H\u22efO hydrogen bond and the acetyl group is twisted to the benzene ring at a dihedral angle of 16.99\u2005(12)\u00b0. In the crystal structure, the cations, anions and water mol\u00adecules are linked by extensive O\u2014H\u22efO hydrogen bonding.In the title compound, [Co(H DOI: 10.1107/S1600536811046678/xu5375Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ZnII atom shows a distorted penta\u00adgonal\u2013bipyramidal coordination environment. The ZnII and one O atom are situated on a crystallographic twofold rotation axis. In the crystal, intra\u00adlayer O\u2014H\u22efO hydrogen-bond inter\u00adactions help to consolidate the coordination layer.The crystal structure of the title complex, [Zn(C DOI: 10.1107/S1600536811024512/im2292Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The organic dication is distorted, as indicated by the N\u2014C\u2014C\u2014N torsion angles, which range from 16.76\u2005(4) to 19.54\u2005(3)\u00b0.In the crystal structure of the title compound, (C DOI: 10.1107/S1600536811020782/si2354Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A two-dimensional network parallel to the ab plane is built up by C\u2014H\u22efO hydrogen bonds, which link adjacent mol\u00adecules in the crystal structure.In the title compound, [Co(NO DOI: 10.1107/S1600536811013328/ng5146Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by O\u2014H\u22efN and N\u2014H\u22efN hydrogen bonds, forming a three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536810050178/bt5405Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bridging acetate ligands link the Zn atoms into a chain along [001]. N\u2014H\u22efO hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions between the pyridine and pyrazole rings [centroid\u2013centroid distance = 3.927\u2005(3)\u2005\u00c5] connect the chains into a layer parallel to (011).In the title compound, [Zn(CH H-pyrazol-3-yl)pyridine, see: Davies et al. 2(C8H7N3)] = 0.056 wR(F 2) = 0.131 S = 1.06 2479 reflections181 parametersH-atom parameters constrainedmax = 0.51 e \u00c5\u22123 \u0394\u03c1min = \u22120.54 e \u00c5\u22123 \u0394\u03c1 CrystalClear used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811040190/hy2465Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Cd atoms are each coordinated by two bridging Cl atoms and three terminal Cl atoms and the [Cd2Cl8]4\u2212 anion is located on an inversion centre. The crystal structure consists of N\u2014H\u22efCl hydrogen-bonded sheets, which are further linked by C\u2014H\u22efCl contacts, yielding a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811006945/rn2080Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II complex, [Ni(C11H11N2O5)2(C2H8N2)2], is built up by inversion symmetry associated with the central Ni atom. The ethyl\u00adenediamine ligands are non-planar. The r.m.s. deviation from the mean plane of the five-membered Ni\u2013ethyl\u00adamine chelate ring plane is 0.1945\u2005\u00c5. In the crystal structure, complex mol\u00adecules are linked to each other via N\u2014H\u22efO and O\u2014-H\u22efO hydrogen bonding through translation symmetry along the b and c axes, resulting in an extended supra\u00admolecular network.The title mononuclear Ni DOI: 10.1107/S1600536810032848/si2287Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Therefore the asymmetric unit contains one crystallographically independent half-mol\u00adecule. The Cd atom adopts a tetra\u00adhedral coordination geometry, coordinated by two I atoms and two N atoms from the symmetry-related 4-(2-methyl\u00adstyr\u00adyl)pyridine ligands.In the title complex, [CdI DOI: 10.1107/S1600536811037573/bq2302Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds form a two-dimensional network parallel to (001).In the title complex, [Cu(C DOI: 10.1107/S1600536811009627/rn2083Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal ions are linked by the EG and L ligands, forming two-dimensional coordination networks, which are associated into the three-dimensional structure through O\u2014H\u22efO hydrogen bonds.In the title complex, {[Mn(C DOI: 10.1107/S1600536810045411/fk2028Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C atoms of one phenyl ring and the ethanol mol\u00adecule are disordered over two sets of sites with site-occupancy factors of 0.57\u2005(5):0.43\u2005(5) and 0.79\u2005(2):0.21\u2005(2), respectively. Intermolecular O\u2014H\u22efO hydrogen bonds stabilize the crystal structure. In the title complex, [Sn DOI: 10.1107/S1600536811011937/lr2004Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of these Na sites is located on an inversion centre, one is partially occupied [occupancy 0.341\u2005(9)], and one is statistically occupied by Na and Mn in a ratio of 0.829\u2005(5):0.171\u2005(5). Na1.67Mn2.17(MoO4)3 is isotypic with structures of the Ag2M2(MoO4)3 family. A comparative structural description is provided between the structure of the title compound and those of related phases containing (MXO8)n chains or M2O10 dimers.The title compound, disodium dimanganese(II) tris\u00ad[ortho\u00admolybdate(VI)], was prepared by solid-state reactions. The structure can be described as being composed of Mn DOI: 10.1107/S160053681400614X/wm5009Isup2.hklStructure factors: contains datablock(s) I. DOI: 992636CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The succinate anion, located across another inversion center, bridges the Co cations, forming polymeric chains running along the b axis. The partially overlapped arrangement of parallel isoquinoline ring systems of adjacent polymeric chains and the shorter face-to-face distance of 3.402\u2005(6)\u2005\u00c5 indicates the existence of weak \u03c0\u2013\u03c0 stacking in the crystal structure. Classical intra- and inter\u00admolecular O\u2014H\u22efO hydrogen bonding and weak non-classical inter\u00admolecular C\u2014H\u22efO hydrogen bonding help to stabilize the crystal structure.In the title compound, [Co(C DOI: 10.1107/S1600536810023895/rk2211Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII atom is six-coordinated by four N atoms of the Schiff base ligand and by two N atoms of two thio\u00adcyanate ligands, forming a distorted octa\u00adhedral geometry.The mol\u00adecule of the title compound, [Mn(NCS) DOI: 10.1107/S1600536810021550/ci5097Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Perchlorate anions B and C are severely disordered. The occupancies of the two major conformers of anion B refined to 0.302\u2005(6) and 0.198\u2005(6). Perchlorate ion C was modeled in two alternate conformations which refined to occupancies of 0.552\u2005(10) and 0.448\u2005(10).The asymmetric unit of the title compound, [Ru(C DOI: Click here for additional data file.10.1107/S1600536812048428/bx2430Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CdII ion lies on a twofold axis. The piperazine ring is in chair conformation and its least-squares plane makes a dihedral angle of 81.4\u2005(1)\u00b0 with that of the pyridine ring.In the title complex, [Cd(C DOI: 10.1107/S1600536811054791/nc2258Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the least-squares plane through the silver(I) fragment and the nitrate anion is 31.29\u2005(13)\u00b0. The mol\u00adecular structure is stabilized by several inter- and intra\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds. The AgI atom is coordinated by two pyridine N atoms and two O atoms of the nitrate anion in a geometry intermediate between tetrahedral and square-planar.In the title compound, a new macrocyclic metal complex, [Ag(NO DOI: 10.1107/S1600536811020472/ff2013Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Only weak inter\u00admolecular inter\u00adactions are present in the crystal structure, viz. C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions involving one of the benzene rings.In the title compound, C DOI: 10.1107/S1600536810044661/fb2212Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "There is high thermal motion in the free cyclo\u00adpenta\u00addienyl ring compared with the substituted cyclo\u00adpenta\u00addienyl ring. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.In the title compound, [Fe(C DOI: 10.1107/S1600536814004899/fj2663Isup2.hklStructure factors: contains datablock(s) I. DOI: 989588CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The CoIII ion is displaced by 0.038\u2005(2)\u2005\u00c5 from the equatorial plane towards the axial Cl atom.In the title complex, [Co(C DOI: 10.1107/S1600536811003321/hy2400Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three acetronitile ligands linearly bind to the RuII atom, with Ru\u2014N\u2014C angles of 172.6\u2005(2), 179.9\u2005(2) and 171.4\u2005(2)\u00b0.In the title complex, [RuCl DOI: Click here for additional data file.10.1107/S1600536813014128/hy2625Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, the anions and cations are linked by N\u2014H\u22efO inter\u00adactions along the b axis and a short N\u2014O\u22ef\u03c0 contact [3.2899\u2005(5)\u2005\u00c5] also occurs.In the title compound, C DOI: 10.1107/S1600536810032629/bx2300Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal structure, mol\u00adecules pack via weak C\u2014H\u22efN and C\u2014H\u22efCl inter\u00adactions.In the title compound, [MnCl DOI: 10.1107/S1600536811043352/su2330Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043352/su2330Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hpc ligands bridge adjacent EuIII ions, forming infinite double chains. Adjacent chains are further connected by hpc ligands into sheets. O\u2014H\u22efO hydrogen bonds then generate a three-dimensional supra\u00admolecular framework.In the title coordination polymer, {[Eu(C DOI: 10.1107/S1600536810048518/hb5735Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains two Pb2+ cations, one Cl\u2212 anion and one and a half terephthalate anions, the latter being completed by inversion symmetry. The two Pb2+ cations are each surrounded by five O atoms and one Cl atom in the form of irregular polyhedra. The cations are linked by \u03bc2-O and \u03bc2-Cl atoms into binuclear units, which are further extended through Pb\u2014O inter\u00adactions into an undulated inorganic layer parallel to (001). These layers are connected along [001] by the terephthalate groups into a three-dimensional framework. The title compound, [Pb DOI: 10.1107/S160053681101779X/wm2483Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S160053681101779X/wm2483Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II dimer, [Ga2Br4(C12H23P)2], was synthesized by reaction of GaBr(THF)n (THF is tetra\u00adhydro\u00adfuran) with dicyclo\u00adhexyl\u00adphosphine in toluene. At 150\u2005K the crystallographically centrosymmetric molecule exhibits disorder in which one of the two independent cyclo\u00adhexyl groups is modelled over two sites in a 62\u2005(1):38\u2005(1) ratio. In d6-benzene solution, the compound exhibits virtual Ch2 symmetry as determined by 1H NMR. The coordination environment of the GaII atom is distorted tetrahedral.The title compound, a Ga DOI: 10.1107/S1600536812035982/nk2174Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO, O\u2014H\u22efO and weak C\u2014H\u22efO hydrogen bonds. There are also \u03c0\u2013\u03c0 inter\u00adactions between the pyridine rings of the pydc ligands and between the pydc ligands and the benzene-1,3-diammonium cations, with centroid\u2013centroid distances of 3.4575\u2005(15) and 3.7521\u2005(15)\u2005\u00c5.In the title compound, (C DOI: 10.1107/S1600536811009858/hy2407Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the two Cp rings is 3.20\u2005(17)\u00b0. The crystal packing is mainly stabilized by van der Waals forces.In the title mol\u00adecule, [Fe(C DOI: 10.1107/S1600536811014796/mw2007Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked by C\u2014H\u22ef\u03c0 inter\u00adactions.In the title compound, C DOI: 10.1107/S1600536812034083/su2485Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812034083/su2485Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The central paddle-wheel units are formed by four bridging bidentate naphthalene-1-acetate ligands with two dimethyl\u00adformamide ligands in the axial positions. The unique CuII ions have slightly distorted square-pyramidal coordination geometries. One of the naphthalene rings is disordered over two sets of sites, with refined occpancies of 0.535\u2005(4) and 0.465\u2005(4).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536812007064/lh5416Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A pair of 2-phenyl\u00adquinoline-4-carboxyl\u00adate anions bridge two Mn cations, forming the dinuclear mol\u00adecule. An intra\u00admoleculr O\u2014H\u22efO hydrogen bond occurs. Inter\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds are present in the crystal structure.In the centrosymmetric dinuclear title complex, [Mn DOI: 10.1107/S1600536811039341/xu5330Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the title compound, [Pd(C24H49P2)Cl], has a distorted square-planar CClP2 coordination geometry with the P,C,P\u2032-tridentate ligand forming two five-membered metallacycles. The cyclo\u00adhexane ring is aligned with the PdII coordination plane due to C\u2014H activation in an equatorial position, giving a tri-equatorial conformation of the cyclo\u00adhexyl ring.The Pd Cl] = 0.028wR(F2) = 0.070S = 0.969297 reflections253 parametersH-atom parameters constrainedmax = 1.28 e \u00c5\u22123\u0394\u03c1min = \u22120.56 e \u00c5\u22123\u0394\u03c1CrysAlis CCD used to solve structure: SHELXS97 I, global. DOI: Click here for additional data file.10.1107/S1600536812047022/wm2700Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The complex forms a one-dimensional chain in the crystal structure through short C\u2014H\u22efBr contacts (H\u22efBr = 3.009\u2005\u00c5).In the title complex, [Ni(C DOI: 10.1107/S1600536811020885/bh2357Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The cyclopentadienyl rings of the ferrocene moiety are arranged in an eclipsed conformation. The hy\u00addroxy group, and the corresponding methine H atom, are disordered over two sets of sites with site-occupancy factors of 0.744\u2005(4) and 0.256\u2005(4). An intra\u00admolecular C\u2014H\u22efO close contact is observed. In the crystal, O\u2014H\u22efN hydrogen bonds form a C(6) chain along [100].In the title ferrocene derivative, [Fe(C DOI: 10.1107/S1600536813031218/zq2212Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "This Cs3Y7Se12-type arrangement is structurally based on the Z-type sesquiselenides M 2Se3 adopting the Sc2S3 structure. Thus, the structural set-up of Cs3Sm7Se12 consists of edge- and vertex-connected [SmSe6]9\u2212 octa\u00adhedra [d \u00d8(Sm3+\u00a0\u2013\u00a0Se2\u2212) = 2.931\u2005\u00c5], forming a rock-salt-related network [Sm7Se12]3\u2212 with channels along [001] that are apt to take up monovalent cations (here Cs+) with coordination numbers of 7\u00a0+\u00a01 for one and of 6 for the second cation. The latter cation has a trigonal\u2013prismatic coordination and shows half-occupancy, resulting in an impossible short distance [2.394\u2005(4)\u2005\u00c5] between symmetrically coupled Cs+ cations of the same kind. While one Sm atom occupies Wyckoff position 2b with site symmetry ..2/m, all other 11 crystallographically different atoms are located at Wyckoff positions 4g with site symmetry ..m.The title compound, tricaesium hepta\u00adsamarium(III) dodeca\u00adselenide, is setting a new starting point for realization of the channel structure of the Cs DOI: 10.1107/S1600536811051919/wm2561Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PrIII ions are bridged by the oxalate ligands, forming a layer parallel to (001). O\u2014H\u22efO hydrogen bonds connect the layers.In the title complex, [Pr DOI: 10.1107/S1600536812011014/hy2521Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Two S and two O atoms form the coordination environment of the Cu atom, resulting in a slightly distorted square-planar coordination. The S atoms are in a cis configuration. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efBr hydrogen-bonding inter\u00adactions.The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536811015789/bt5534Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two Cl atoms complete a distorted square-pyramidal geometry around the metal atom. In the crystal, a C\u2014H\u22efCl inter\u00adaction connects pairs of mol\u00adecules into centrosymetric dimers.In the title compound, [CdCl DOI: 10.1107/S1600536811005538/pv2387Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Whereas four HPAA ligands coordinate to just two DyIII atoms, the remaining two ligands bridge the two DyIII atoms. In the crystal, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the mol\u00adecules into a three-dimensional network.In the title dinuclear complex, [Dy DOI: 10.1107/S1600536810044107/bt5397Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "O\u2014H\u22efO hydrogen-bonding inter\u00adactions involving the water mol\u00adecules form infinite chains parallel to [010].In the title compound, [Zn(C DOI: 10.1107/S1600536810050865/dn2633Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Depending on the number of coordination sites (n) assigned to the BH4 \u2212 ligand, the coordination geometry of the W atom may either be described as approximately trigonal\u2013bipyramidal (n = 1) or as very distorted octa\u00adhedral with the bridging H atoms filling two coordination positions (n = 2). In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032\u2005\u00c5) form one octa\u00adhedral plane, with mutually trans-oriented carbene ligands. In the crystal, mol\u00adecules are connected via C\u2014H\u22efO inter\u00adactions.In the title paramagnetic 19-electron neutral complex, [W(BH DOI: 10.1107/S1600536810052426/fj2374Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Ag+ cation is coordinated by two unsubstituted imidazolyl N atoms of two independent 2-paBIM ligands [2-paBIM is bis\u00ad{2-[(E)-phenyl\u00addiazen\u00adyl]-1H-imidazol-1-yl}methane]. The shortest Ag\u22efAg separation in a cationic chain is 8.841\u2005(2)\u2005\u00c5 and the dihedral angle between two 2-phenyl\u00addiazenyl-imidazole planes in the same ligand is 74.7\u2005(3)\u00b0. Weak C\u2014H\u22efO interactions are seen in the crystal.The title compound, {[Ag(C DOI: 10.1107/S1600536811035951/im2314Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial sites are occupied by a 2--1,10-phenanthroline ligand in a tridentate coordination mode and a bis-chelating nitrate ligand. Two aqua ligands are coordinated at the axial sites. All non-H atoms in the equatorial plane are co-planar within 0.0673\u2005\u00c5. In the crystal, inter\u00admolecular O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds connect the components into a two-dimensional network parallel to (001). In addition, there is a \u03c0\u2013\u03c0 stacking inter\u00adaction between symmetry-related benzene rings, with a centroid\u2013centroid distance of 3.598\u2005(3)\u2005\u00c5.In the title complex, [Cd(C DOI: 10.1107/S1600536810039735/lh5140Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, \u03c0\u2013\u03c0 contacts between the pyridine and benzene rings stabilize the structure.In the title compound, [CoBr DOI: Click here for additional data file.10.1107/S160053681204367X/hy2596Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The isobutyl group is disordered over two sets of sites in a 0.899\u2005(9):0.101\u2005(9) ratio. In the crystal, weak aromatic \u03c0\u2013\u03c0 stacking inter\u00adactions involving the imidazole and thia\u00addiazole rings with a centroid\u2013centroid distance of 3.8067\u2005(7)\u2005\u00c5 occur.In the title compound, C DOI: 10.1107/S1600536810053201/hb5776Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three-dimensional framework is accomplished by stacking of adjacent layers that are held together by SrO8 polyhedra (2/m symmetry). Two types of O\u2014H\u22efO hydrogen bonds involving the water mol\u00adecule are present, viz. one very strong hydrogen bond perpendicular to the layers and weak trifurcated hydrogen bonds parallel to the layers.The title compound, dinickel(II) strontium bis\u00ad[ortho\u00adphosphate(V)] dihydrate, was obtained under hydro\u00adthermal conditions. The crystal structure consists of linear chains DOI: 10.1107/S1600536810045113/wm2418Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Na atoms are disordered over two general and special positions . The main structural feature is the association of the CoO6 octa\u00adhedra in the ab plane, forming Co4O20 units, which are corner- and edge-connected via AsO4 and As2O7 arsenate groups, giving rise to a complex polyhedral connectivity with small tunnels, such as those running along the b- and c-axis directions, in which the Na+ ions reside. The structural model is validated by both bond-valence-sum and charge-distribution methods, and the distortion of the coordination polyhedra is analyzed by means of the effective coordination number.In the title compound, tris\u00adodium dicobalt arsenate diarsenate, Na DOI: 10.1107/S1600536812027791/jj2142Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812027791/jj2142Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII ion adopts a distorted tetra\u00adhedral geometry, the dihedral angle between the two benzene rings being 86.05\u2005(16)\u00b0.The title eth\u00adyl\u2013zinc complex, [Zn(C DOI: 10.1107/S1600536811005514/bh2336Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It forms a three-dimensional framework connected by extensive O\u2014H\u22efO and O\u2014H\u22efN hydrogen-bonding inter\u00adactions.The title compound, [Y DOI: 10.1107/S1600536810044831/ds2064Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing between the complex cation and the zwitterionic organic cation (m symmetry) is stabilized by inter\u00admolecular O\u2014H\u22efO hydrogen bonds and weak inter\u00admolecular C\u2014H\u22efO inter\u00adactions.In the title compound, [Mg(H DOI: 10.1107/S1600536810046696/jj2069Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecular geometry around the sulfur atom is tetra\u00adhedral with X\u2013S\u2013Y angles spanning a range of 102.23\u2005(6)\u2013110.04\u2005(6)\u00b0. In the crystal, the water mol\u00adecules connect the sodium cations into chains along the b axis via O\u2014H\u22efO hydrogen bonds. An inter\u00admolecular O\u2014H\u22ef\u03c0 inter\u00adaction is also observed.The title compound, Na DOI: 10.1107/S1600536811021738/dn2695Isup2.cdx Supplementary material file. DOI: 10.1107/S1600536811021738/dn2695Isup3.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021738/dn2695Isup4.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dialkyl\u00adated N atom has an appreciably longer bond length to the NiII atom [1.9666\u2005(13)\u2005\u00c5] than does the unsubstituted N atom [1.9202\u2005(14)\u2005\u00c5]. The Ni\u2014N bond lengths in [Ni(Et2en)2]Br2 are significantly shorter than corresponding values in tetra\u00adgonally distorted [Ni(Et2en)2 X 2] compounds , which have a triplet ground state. The electronic configuration in these axially ligated [Ni(Et2en)2 X 2] compounds populates the metal-based d x 2 -y 2 orbital, which is Ni\u2014N anti\u00adbonding in character. Each Et2en ligand in each [Ni(Et2en)2]2+ cation forms a pair of N\u2014H\u22efBr hydrogen bonds to the Br\u2212 anions, one above and below the NiN4 square plane. Thus, a ribbon of alternating Br\u2212 pairs and [Ni(Et2en)2]2+ cations that are canted at 65\u00b0 relative to one another is formed by hydrogen bonds.The structure of the title compound, [Ni(C DOI: 10.1107/S1600536810050403/wm2433Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination sphere around Cu(II) ion can be described as tetragonally distorted octa\u00adhedral with two perchlorate O atoms occupying the apical positions and four N atoms from two N 1-(2-furyl\u00admethyl)ethane-1,2-diamine ligands in the basal plane.In the title complex, [Cu(ClO DOI: 10.1107/S1600536811012232/nk2094Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Mo\u2014Mo bond length of 2.0881\u2005(8)\u2005\u00c5 is typical for quadruply bonded species. The phenyl ring and the connected dimetal chelating ring (Mo2O2C) are nearly co-planar, making a dihedral angle of 3.24\u2005(13)\u00b0. The dichloromethane solvent molecule is disordered over four sets of sites with occupancies of 0.3:0.3:0.2:0.2.The title compound, [Mo DOI: 10.1107/S1600536811002558/om2393Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The VV atom is coordinated by the O,N,O\u2032-tridentate Schiff base ligand, one methano\u00adlate O atom and one oxide O atom, forming a distorted VO4N square-pyramidal coordination geometry. The oxide O atom lies at the apex of the square pyramid and the N atom of the ligand and the methano\u00adlate O atom are trans. The dihedral angle between the benzene rings of the ligand is 1.8\u2005(3)\u00b0.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811041547/hb6443Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands bridge the SrII ions, forming a two-dimensional structure. In the crystal, O\u2014H\u22efO hydrogen bonds further connect the structure into a three-dimensional network. The H atoms of two of the carboxyl groups were refined as half-occupancy.In the title compound, {[Sr(C DOI: 10.1107/S1600536811050811/lh5373Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The C atoms of the propan-1-aminium cation are disordered over two sets of sites in a 0.65\u2005(3):0.35\u2005(3) ratio. The crystal structure is stabilized by N\u2014H\u22efO hydrogen bonds.In the anion of the title solvated molecular salt, C DOI: 10.1107/S1600536811016850/bt5538Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811016850/bt5538Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The N atoms occupy one axial and one equatorial site and the terminal chloride ion occupies an equatorial site. The dihedral angle between the pyridine and pyrazole rings is 12.8\u2005(2)\u00b0. In the crystal, aromatic \u03c0\u2013\u03c0 stacking [centroid\u2013centroid separations = 3.812\u2005(3) and 3.848\u2005(3)\u2005\u00c5] and C\u2014H\u22efCl and C\u2014H\u22ef\u03c0 inter\u00adactions help to establish the packing.In the centrosymmetric binuclear title compound, [Zn DOI: 10.1107/S1600536810026127/hb5500Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit is composed of half a [ZnCl4]2\u2212 anion, half a 4-methyl\u00admorpholin-4-ium cation and half a dimethyl\u00adammonium cation, all located on mirror planes parallel to ac. All the amine H atoms are involved in inter\u00admolecular N\u2014H\u22efCl hydrogen bonds, building up an infinite chain parallel to the c axis.The title compound, (C DOI: 10.1107/S1600536811025049/zk2013Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00adcyclic C\u2014C\u2014C angles span a range of 117.16\u2005(19)\u2013122.32\u2005(19)\u00b0. Apart from intra\u00admolecular hydrogen bonds between hydroxyl and carboxyl groups, inter\u00admolecular hydrogen bonds are present in the crystal structure, the latter ones giving rise to centrosymmetric carb\u00adoxy\u00adlic acid dimers.The title compound, C DOI: 10.1107/S1600536811011998/bh2346Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains four Nd, four Ti and 14 O-atom sites. The perovskite-type slabs are stacked parallel to (010) with a thickness corresponding to four corner-sharing TiO6 octa\u00adhedra. The Nd and Ti ions are displaced from the geometrical centres of respective coordin\u00adation polyhedra so that the net polarization occurs along the c axis. The investigated crystals were all twinned and have a halved monoclinic unit cell in comparison with the first structure determination of this compound [Scheunemann & M\u00fcller-Buschbaum dititanium(IV) hepta\u00adoxide, Ndbaum 1975. J. Inor DOI: Click here for additional data file.10.1107/S1600536813005497/wm2720Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The ZnII ions are connected by 5-hy\u00addroxy\u00adisophthalate (hbdc) and 2,2\u2032-diethyl-1,1\u2032-di-1H-imidazole (pbie) ligands, forming a threefold inter\u00adpenetrating diamondoid framework. In the pbie ligand, one of the ethyl\u00adimidazole groups is disordered over two positions, with a site-occupancy ratio of 0.670\u2005(9):0.330\u2005(9). An inter\u00admolecular O\u2014H\u22efO hydrogen bond is formed between the hy\u00addroxy and carboxyl\u00adate groups of the hbdc ligands.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536811041456/hy2473Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two bpds ligands of the same axial chirality bridge ZnII atoms, generating repeated rhomboidal chains, which are linked by O\u2014H\u22efO hydrogen bonds into a ladder structure.In the title compound, {[Zn(C DOI: 10.1107/S1600536810021331/er2078Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bond angles around the NiII atom indicate that it exists in a slightly distorted square-planar geometry.The title compound, [Ni(C Cl(C18H15P)2] = 0.024 wR(F 2) = 0.057 S = 1.02 6780 reflections488 parametersH-atom parameters constrainedmax = 0.26 e \u00c5\u22123 \u0394\u03c1min = \u22120.14 e \u00c5\u22123 \u0394\u03c1Absolute structure: Flack 1983, 2986 FrFlack parameter: 0.000 (7) APEX2 used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811032326/vm2114Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811032326/vm2114Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the three independent mol\u00adecules of the title compound, [Sn(C7H6Cl)2(C9H6NO)Cl], is N,O-chelated by the quinolin-8-olate anion and exists in a cis-C2SnNOCl trigonal\u2013bipyramidal geometry; the O atom of the anion and the two benzyl C atoms lie in the equatorial plane.The Sn DOI: 10.1107/S160053681101573X/bt5528Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atom in the anion is N,O-chelated by the hy\u00addroxy\u00adquinolinate in a cis-SnNOCl4 octa\u00adhedral geometry. In the crystal, the cation, anion and solvent mol\u00adecules are linked by N\u2014H\u22efO, O\u2014H\u22efO and O\u2014H\u22efCl hydrogen bonds, generating a three-dimensional network.In the reaction of 8-hy\u00addroxy\u00adquinoline, 2-methyl-8-hy\u00addroxy\u00adquinoline and stannic chloride, the 2-methyl-8-hy\u00addroxy\u00adquinoline is protonated, yielding the disolvated title salt, (C DOI: 10.1107/S1600536811001954/si2328Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal structure is stabilized by inter\u00admolecular N\u2014H\u22efO, C\u2014H\u22efO and C\u2014H\u22ef\u03c0 inter\u00adactions.In the title complex, [Ag(C DOI: 10.1107/S1600536811017776/jh2288Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The phenyl ring is twisted away from the fused ring system by 36.49\u2005(5)\u00b0 . The dihydro\u00adpyran ring displays a distorted envelope configuration by displacement of the phenyl-bearing and the adjacent ring C atoms from the fused-ring system plane by 0.356\u2005(2) and 0.402\u2005(2)\u2005\u00c5, respectively.In the title compound [systematic name: tricarbonyl(\u03b7 DOI: 10.1107/S1600536810024992/zb2005Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Schiff base ligand adopts an E,E conformation. The dihedral angle between the planes of the two halves of the central N,N\u2032-dimethyl\u00adethylenediamine part of the ligand is 2.3\u2005(11)\u00b0. The crystal studied was twinned by pseudomerohedry [twin law (0-10/-100/00-1)]; the contribution of the minor twin component refined to 0.208\u2005(3).In the title compound, [HgBr DOI: 10.1107/S1600536812030577/wm2653Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The supra\u00admolecular structure is based on inter\u00adactions involving the meth\u00adoxy groups , \u03c0\u2013\u03c0 stacking of the electron-rich meth\u00adoxy-substituted rings [centroid\u2013centroid distances of 3.6454\u2005(9)\u20133.738\u2005(1)\u2005\u00c5] and C\u2014H\u22ef\u03c0 contacts .The title compound, C DOI: 10.1107/S1600536811012888/vm2079Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536810023214/pv2294Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains a half-cation and a half-anion. The atoms of the cation occupy general positions about an inversion centre, which is located at the midpoint of the central C\u2014C bond. The Co atoms lie on a twofold rotation axis. The slightly distorted tetra\u00adhedral coordination environment around the metal atom consists of two Cl atoms and their symmetry-related pairs.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811050744/hp2021Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methanol O atom completes the distorted octa\u00adhedral configuration of the MoVI atom. Strong O\u2014H\u22efN hydrogen bonds form a C(5) chain around a 21 screw axis. Weak C\u2014H\u2014O hydrogen bonds are also present.In the title benzil\u00adidene Schiff base molybdenum(VI) complex, [Mo(C O2(CH4O)] = 0.038 wR(F 2) = 0.104 S = 1.01 5867 reflections229 parametersH-atom parameters constrainedmax = 1.38 e \u00c5\u22123 \u0394\u03c1min = \u22121.80 e \u00c5\u22123 \u0394\u03c1 SMART I, global. DOI: 10.1107/S1600536811020101/dn2692Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anions bridge adjacent TmIII ions into double chains. Adjacent chains are further connected into sheets. O\u2014H\u22efO hydrogen bonds involving both coordinated and uncoordinated water mol\u00adecules generate a three-dimensional supra\u00admolecular framework.In the title coordination polymer, {[Tm(C DOI: 10.1107/S1600536811007628/pv2392Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The conformation of the cyclo\u00adpenta\u00addienyl (Cp) rings in each ferrocenyl group are inter\u00admediate between eclipsed and staggered, with twist angles of 16.6\u2005(2) and 8.9\u2005(2)\u00b0. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, mol\u00adecules are connected through inter\u00admolecular C\u2014H\u22ef\u03c0 inter\u00adactions.Following our continuing inter\u00adest in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C DOI: 10.1107/S1600536810040791/jh2205Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Adjacent complex mol\u00adecules are linked through C\u2014H\u22efO hydrogen bonds.In title compound, [Co(C N,O- 3] = 0.040 wR(F 2) = 0.111 S = 1.01 6547 reflections445 parametersH-atom parameters constrainedmax = 0.59 e \u00c5\u22123 \u0394\u03c1min = \u22120.23 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXTL global, I. DOI: 10.1107/S1600536811044588/br2174Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl hydrogen bonds are also observed.In the title organometallic complex, [Sb(C Cl] = 0.032 wR(F 2) = 0.092 S = 1.05 3644 reflections209 parametersH-atom parameters constrainedmax = 0.78 e \u00c5\u22123 \u0394\u03c1min = \u22120.55 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 I, global. DOI: 10.1107/S1600536811021477/vm2099Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021477/vm2099Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each TMIPA anion bridges three CdII cations, forming polymeric complex sheets parallel to (001). Weak C\u2014H\u22efO hydrogen bonding occurs between adjacent sheets.In the crystal structure of the polymeric title complex, [Cd(C DOI: 10.1107/S1600536811054183/xu5394Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811054183/xu5394Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The average Ru\u2014P, Ru\u2014N and Ru\u2014Cl bond lengths are 2.325\u2005(18), 2.1845\u2005(7) and 2.4123\u2005(12)\u2005\u00c5, respectively.In the title compound, [RuCl DOI: 10.1107/S1600536810019276/tk2679Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Its crystal structure is formed by monuclear CdII entities in which the metal atom is sited on a twofold rotation axis. The CdII atom is six-coordinated in the form of a distorted octa\u00adhedron by two chelating phenanthroline mol\u00adecules and two thio\u00adcyanate anions coordinated through their N atoms. In the crystal, C\u2014H\u22efN hydrogen bonds are established between the phenanthroline and thio\u00adcyanate ligands of neighbouring complexes.The title compound, [Cd(NCS) DOI: 10.1107/S160053681101289X/zj2006Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An inter\u00admolecular O\u2014H\u22efO hydrogen-bonding inter\u00adaction between the free hy\u00addroxy group of the ligand and a nitrate O atom of an adjacent complex unit, gives a chain structure which extends across the (101) planes.In the title compound, [Cu(NO DOI: 10.1107/S1600536810051779/zs2083Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The pyridinium NH H atom is disordered over the two ligands. Adjacent mononuclear clusters are linked through N\u2014H\u22efO and N\u2014H\u22efN hydrogen-bonding inter\u00adactions, generating layers in the (102) plane.In the title compound, [Nd(NO DOI: 10.1107/S1600536812011397/bt5847Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The PF6 \u2212 anion is disordered over two sets of sites with occupancies of 0.779\u2005(7) and 0.221\u2005(7).In the title cationic Cp DOI: 10.1107/S1600536811028832/go2017Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The hydrazine ligands coordinate to the CuIIatom by a pyridine N atom. These four atoms form a slightly distorted square-planar N4 donor set. In the packing, two additional Cu\u22efO inter\u00adactions occur [Cu\u22efO = 2.462\u2005(2)\u2005\u00c5], resulting in a typical Jahn\u2013Teller-distorted octahedral environment around the Cu atom. N\u2014H\u22efO hydrogen bonds result in a three-dimensional network. The O atoms of the anion are disordered over two positions in a 0.68\u2005(2):0.32\u2005(2) ratio.In the title complex, [Cu(C DOI: 10.1107/S1600536810038985/vm2045Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, weak N\u2014H\u22efBr inter\u00adactions connect the anion to three symmetry-related cations. The crystal structure also displays very weak C\u2014H\u22efBr inter\u00adactions.In the title salt, (C DOI: 10.1107/S1600536810047495/bh2319Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The chain structure is constructed from square-pyramidally coordinated CuII atoms linked through l-methio\u00adnate ligands. The chains propagate along the a-axis direction and are linked to perchlorate anions via N\u2014H\u22efO hydrogen bonds.The structure of the title compound, {[Cu(C DOI: 10.1107/S1600536811014000/ff2004Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Intra\u00admolecular N\u2014H\u22efO hydrogen bonds help to establish the configuration.In the title compound, [Ni(NO DOI: 10.1107/S1600536810044624/si2301Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular hydrogen-bond bridge from the carboline to the quinoline stabilizes a highly planar geometry [maximum deviation = 0.065\u2005(6)\u2005\u00c5] for the two rigid units. This hydrogen-bond-stabilized coplanarity has a very close analogy in the structure of the anti\u00adtumor anti\u00adbiotic streptonigrin in the solid state and in solution. Inter\u00admolecular hydrogen-bond bridges of amides groups along the a axis and \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid\u2013centroid distance = 3.665\u2005(9)\u2005\u00c5] connect mol\u00adecules arranged in a parallel manner.The title compound, C DOI: 10.1107/S1600536811018794/bt5551Isup2.hkl Structure factors: contains datablocks I. DOI: 10.1107/S1600536811018794/bt5551Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular O\u2014H\u22efO hydrogen bond occurs. Inter\u00admolecular O\u2014H\u22efO hydrogen bonds generate a layer structure parallel to (001). There are weak C\u2014H\u22efO inter\u00adactions within the layers.The Zn(II) atom in the title compound, [Zn(SO DOI: 10.1107/S1600536811003138/ng5108Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are connected by \u03c0\u2013\u03c0 stacking inter\u00adactions , forming columns parallel to the a axis.In the title compound, C DOI: 10.1107/S1600536811028479/rz2626Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811028479/rz2626Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure exhibits a two-dimensional metal\u2013organic -net composed of CdII atoms and bimb ligands, and such layers are further joined through inter\u00adlayer C\u2014H\u22efO hydrogen bonds to generate a three-dimensional supra\u00admolecular structure.A novel metal\u2013organic framework based on 1,3-bis\u00ad(imidazol-1-ylmeth\u00adyl)benzene , [Cd(NO DOI: 10.1107/S1600536811021027/hp2007Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular O\u2014H\u22efN hydrogen bonds between the coordinated water mol\u00adecule and the tetra\u00adzolyl group of the 5-(2-pyridyl\u00admeth\u00adyl)tetra\u00adzolate ligand lead to the formation of a three-dimensional network.In the title mononuclear complex, [Zn(C DOI: 10.1107/S1600536811019507/bt5553Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Inter\u00admolecular C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions between the pyridyl rings [centroid\u2013centroid distance = 3.7337\u2005(18)\u2005\u00c5] are present in the crystal structure.In the title compound, [CdCl DOI: 10.1107/S1600536810029399/hy2335Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each oxalate ligand chelates to two SmIII atoms, generating a three-dimensional anionic network with cavities in which the ammonium cations and lattice water mol\u00adecules reside. Various O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen-bonding inter\u00adactions further stablize the crystal structure.In the title complex, {(C DOI: 10.1107/S1600536811020058/om2429Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII ion is coordinated in a distorted octa\u00adhedral environment by two azide ligands in a trans configuration. The methanol ligands are in a cis configuration and their hy\u00addroxy groups form intra\u00admolecular O\u2014H\u22ef hydrogen bonds with the azide ligands.The title complex, [Ni(N DOI: 10.1107/S1600536810038377/lh5134Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The shortest Ni\u22efNi separation is 8.1068\u2005(10)\u2005\u00c5. The structure is pseudo-centrosymmetric and can also be refined in the space group C2/c in which both anionic ligands are strongly disordered and the refinement leads to significantly poorer reliability factors.In the crystal structure of the title compound, [Ni(C DOI: 10.1107/S1600536812019691/bt5887Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular C\u2014H\u22efO hydrogen bonds and O\u22ef\u03c0 and N\u22ef\u03c0 inter\u00adactions link the complex cations, perchlorate anions and acetonitrile solvent mol\u00adecules into a three-dimensional network.In the title compound, [Zn(C DOI: 10.1107/S1600536811037081/hy2471Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The bonds displays the usual elongation with mean Cu\u2014O and Cu\u2014N bond lengths of 1.926 and 1.976\u2005\u00c5, respectively. The pyridine ring makes dihedral angles of 26.12\u2005(13) and 11.08\u2005(12)\u00b0, respectively, with the trimeth\u00adoxy\u00adphenyl and phenolate rings, which make a dihedral angle of 16.05\u2005(12)\u00b0 with one another.In the title compound, [Cu(C DOI: 10.1107/S1600536811009901/jh2271Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, N\u2014H\u22efO hydrogen bonds link the mol\u00adecules into infinite chains running along the b axis.In the title compound, C DOI: 10.1107/S1600536811050732/bt5725Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050732/bt5725Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It was isolated from a reaction mixture of the parent ligand and trimethyl\u00adaluminium in tetra\u00adhydro\u00adfuran. The geometry around the AlIII atom is a slightly distorted trigonal-bipyramid, typical of atrane derivatives.The title compound, [Al DOI: 10.1107/S1600536810027212/pk2252Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, face-to-face \u03c0\u2013\u03c0 stacking inter\u00adactions, with a centroid\u2013centroid distance of 3.563\u2005(9)\u2005\u00c5, are observed.In the title mononuclear complex, [HgI DOI: 10.1107/S1600536812031017/rz2782Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The O\u2014Nb\u2014O angles vary between 81.36\u2005(7) and 172.65\u2005(7) \u00b0, while the trans Cl\u2014Nb\u2014Cl angle is 167.34\u2005(2)\u00b0. There are no hydrogen bonds observed.In the title compound, [Nb(CH DOI: Click here for additional data file.10.1107/S1600536812042638/bt6846Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Systematic variations in the Sn\u2014Cl bond distances are correlated with the relative trans influence exerted by the C and carbonyl-O atoms. The three-dimensional crystal packing is stabilized by N\u2014H\u22efO and N\u2014H\u22efCl hydrogen bonds.The Sn atom in the title compound, [Sn(C Cl3(CH4N2O)] = 0.022 wR(F 2) = 0.051 S = 1.10 2451 reflections136 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.42 e \u00c5\u22123 \u0394\u03c1min = \u22120.41 e \u00c5\u22123 \u0394\u03c1 COLLECT used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811038281/qm2029Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, a network of O\u2014H\u22efO, N\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds involving the cations, anions and water mol\u00adecules results in a three-dimensional network.In the title hydrated mol\u00adecular salt, (C DOI: 10.1107/S1600536811018204/hb5879Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The three-dimensional framework leads to two different channels along the c axis, one of which is occupied by Ag+ ions with a square-planar coordination. The Ag+ ions are disordered over two sites in a 0.89\u2005(3):0.11\u2005(3) ratio. The OH groups, which point into the other type of channel, are involved in strong O\u2014H\u22efO hydrogen bonds. The title compound is isotypic with the compounds AM 3H2(XO4)(HXO4)2 of the alluaudite structure type.The title compound, AgMg DOI: 10.1107/S1600536810053304/fj2371Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each oxalate ligand bridges two CdII atoms, generating a zigzag chain structure propagating along [100]. The packing of the structure is consolidated by non-classical C\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title complex, [Cd(C DOI: 10.1107/S1600536810040341/wm2410Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CaII atom in the cation is coordinated by six O atoms from six dimethyl sulfoxide ligands in a distorted octa\u00adhedral geometry. The [W6O19]2\u2212 isopolyanion possesses the well-known Lindqvist structure in which each WVI atom is coordinated by four \u03bc2-O, one terminal O and one \u03bc6-O atom.In the title compound, [Ca(C DOI: 10.1107/S1600536812018338/rz2743Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "II ion in the title centrosymmetric dinuclear complex, [Hg2Cl4(C13H12N2)2]\u00b7[HgCl2], adopts a distorted square-pyramidal geometry, being coordinated by the bis-chelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg\u2014Cl bonds [2.8428\u2005(11)\u2005\u00c5] is significantly longer than the other [2.5327\u2005(10)\u2005\u00c5]. In the crystal, there are weak \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.630\u2005(3)\u2005\u00c5] between the aromatic rings of the discrete units. The HgCl2 adduct molecule is located on an inversion centre and has an Hg\u2014Cl bond length of 2.2875\u2005(11)\u2005\u00c5.The Hg DOI: 10.1107/S1600536810050725/jh2236Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the anion, the carboxyl\u00adate group makes the dihedral angle of 4.19\u2005(18)\u00b0 with the benzene ring. In the crystal, the ions are connected by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, forming a three-dimensional network.In the title salt, C DOI: Click here for additional data file.10.1107/S1600536813010787/tk5220Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010787/tk5220Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The CuII ion, located on an inversion center, exhibits a sligthly distorted square-planar coordination geometry, in which two oxalate anions bind in a bidentate fashion. The triazolopyrimidine ligand is protonated at the N atom in position 4, instead of its most basic N atom in position 3. This fact may be explained by the network stability, which is provided through the formation of a two-dimensional wave-like network parallel to (50via C\u2014H\u22efO inter\u00adactions.The structure of the title ionic compound, (C DOI: 10.1107/S1600536811040724/su2318Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The solvent water mol\u00adecule is disordered over three positions with occupancies of 0.401\u2005(7), 0.322\u2005(7) and 0.277\u2005(6). The water content was confirmed by thermogravimetric data.In the title compound, [Fe(C DOI: 10.1107/S1600536811046800/yk2026Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The crystal packing is stabilized by inter\u00admolecular N\u2014H\u22efO hydrogen bonds and weak O\u2014H\u22efO inter\u00adactions, forming a two-dimensional network parallel to (010).In the centrosymmetric dinuclear title compound, [Dy DOI: 10.1107/S1600536811019118/jj2083Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one CoII cation, which is located on a special position with site symmetry 2/m, one thio\u00adcyanate anion and one dioxane mol\u00adecule, located on a crystallographic mirror plane, as well as one 3-cyano\u00adpyridine ligand in a general position. The crystal structure consists of discrete complexes of [Co(NCS)2(3-cyano\u00adpyridine)4], as well as two non-coordinating 1,4-dioxane solvent mol\u00adecules which are disordered due to symmetry.In the crystal structure of the title compound, {[Co(NCS) DOI: 10.1107/S1600536811051087/wm2564Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The equatorial Cu\u2014N bond distances range from 2.005\u2005(8) to 2.046\u2005(8)\u2005\u00c5 while the axial Cu\u2014Br distances are 2.8616\u2005(17) and 2.9402\u2005(17)\u2005\u00c5, thus the six-coordinate Cu complex shows the usual Jahn\u2013Teller distortion. All amine hydrogen atoms participate in either inter- or intra\u00admolecular hydrogen bonding to the Br anions.In the title compound, [CuBr DOI: 10.1107/S160053681103251X/pv2444Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angles between the piperidine groups and the NCN chelate rings are 51.5\u2005(1) and 52.3\u2005(1)\u00b0.In the mononuclear title complex, [Ti(C DOI: 10.1107/S1600536810053262/hg2762Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, adjacent mol\u00adecules are linked through O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds into a three-dimensional network.In the title complex, [Mn(SO DOI: 10.1107/S1600536811022197/wm2495Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit consists of one ZnII atom located on a center of inversion as well as one anion, one water mol\u00adecule and one additional dimethyl\u00adformamide mol\u00adecule that occupy general positions. Between the carboxyl and the carboxyl\u00adate group an intra\u00admolecular hydrogen bond is found in which the hydroxy H atom is disordered. Disorder is also found for the H atoms of one of the three methyl groups. In the crystal structure, additional inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonding is found.In the crystal structure of the title compound, [Zn(C DOI: 10.1107/S1600536810022282/nc2185Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are linked into sheets parallel to the bc plane by C\u2014H\u22efCl and C\u2014H\u22efO hydrogen bonds and weak \u03c0\u2013\u03c0 inter\u00adactions [centroid\u2013centroid distance = 3.669\u2005(1)\u2005\u00c5].In the title compound, [ZnCl DOI: 10.1107/S160053681004119X/ci5172Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These inter\u00adactions together with a carb\u00adoxy\u00adlic acid O\u2014H\u22efO(sulfonate) association give a three-dimensional structure.In the crystal structure of the title compound, [Mg(H II, CuII and CoII dihydrate complexes, see: Ma et al. 6](C7H5O6S)2\u00b72H2O = 0.032 wR(F 2) = 0.086 S = 1.14 2899 reflections209 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.34 e \u00c5\u22123 \u0394\u03c1min = \u22120.43 e \u00c5\u22123 \u0394\u03c1 CrysAlis PRO used to solve structure: SIR92 global, I. DOI: 10.1107/S1600536811030777/tk2770Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the cation, the Co\u2014N bond lengths lie in the range 1.967\u2005(2)\u20131.9684\u2005(15)\u2005\u00c5. In the anion, the InIII atom is coordinated by six Cl atoms resulting in a slightly distorted octa\u00adhedral geometry. Both metal atoms are located on special positions of site symmetry 2/m. Furthermore, one Cl atom and one N atom are located on a mirror plane. N\u2014H\u22efCl hydrogen bonds between cations and anions consolidate the crystal packing.The title compound, [Co(C DOI: 10.1107/S1600536811016758/vm2092Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, a two-dimensional framework parallel to (010) is formed by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(C DOI: 10.1107/S1600536811012992/nk2096Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The dihedral angle between the aromatic ring and the pyridyl ring is 71.7\u2005(1)\u00b0. In the crystal, the mol\u00adecules are stacked in columns along the c axis and several inter\u00admolecular \u03c0\u2013\u03c0 inter\u00adactions are present between the six-membered rings, with a shortest centroid\u2013centroid distance of 3.707\u2005(2)\u2005\u00c5.The title compound, C DOI: 10.1107/S1600536811003011/ng5109Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Non-merohedral twinning with a twofold rotation about the reciprocal c* axis as twin operation was taken into account during intensity integration and structure refinement. This twinning leads to alternative orientations of the stacked hydrogen-bonded layers.The enanti\u00adopure title compound, C DOI: 10.1107/S160053681100420X/ez2229Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The mol\u00adecule has approximate C 2 point symmetry. The dihedral angles between the phenyl and benzene rings on either side of the ligand are 64.56\u2005(14) and 65.61\u2005(13)\u00b0.In the title compound, [FeCl DOI: 10.1107/S1600536811053773/lh5395Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "II atom in the mononuclear title compound, [Ni(C10H10NS2)(NCS)(C18H15P)], exists within a S2PN donor set that defines a distorted square-planar geometry. A significant asymmetry in the Ni\u2014S bond lengths support the less effective trans effect of SCN\u2212 over PPh3.The Ni DOI: 10.1107/S1600536811050550/bt5724Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The conformation of the N\u2014C\u2014C\u2014O linkage is gauche [torsion angle = \u221264.6\u2005(4)\u00b0] and the dihedral angle between the fluoro\u00adbenzene rings is 64.02\u2005(15)\u00b0.In the title mol\u00adecule, C DOI: 10.1107/S1600536812024129/hb6811Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812024129/hb6811Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "In the crystal structure, adjacent mol\u00adecules are connected by \u03c0\u2013\u03c0 contacts between the thia\u00adzole rings [centroid\u2013centroid distance = 3.591\u2005(3)\u2005\u00c5].In the title compound, [HgI DOI: 10.1107/S1600536810029302/hy2334Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The thio\u00adcyanate ions are in a cis disposition and the pyridine N atoms are in a trans orientation. In the crystal, a short inter\u00admolecular Cl\u22efS contact [3.366\u2005(3)\u2005\u00c5] is observed.In the title complex, [Fe(NCS) DOI: 10.1107/S1600536812014286/hb6716Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The crystal structure consists of zigzag polymeric cationic chains parallel to the c axis and uncoordinated anions linked into a three-dimensional supra\u00admolecular architecture by O\u2014H\u22efO, C\u2014H\u22efO hydrogen bonds and C\u2014H\u22ef\u03c0 inter\u00adactions.The asymmetric unit of the polymeric title compound, {[Zn(C DOI: 10.1107/S160053681003970X/rz2494Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the components are linked by O\u2014H\u22efO, C\u2014H\u22efO and aromatic \u03c0\u2013\u03c0 stacking [shortest centroid\u2013centroid separation = 3.659\u2005(5)\u2005\u00c5] inter\u00adactions.In the title compound, [Co(C DOI: 10.1107/S1600536810022750/hb5497Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "An intra\u00admolecular N\u2014H\u22efO hydrogen bond occurs. In the crystal, mol\u00adecules are held together by inter\u00admolecular N\u2014H\u22efO hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536811045752/rk2297Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The anion inter\u00adacts with two water mol\u00adecules through several O\u2014H\u22efO hydrogen bonds, forming wide ribbons along the a axis constructed from two anion\u2013water chains. These ribbons are contained between unclosed diamond-like (16.2 \u00d7 15.0\u2005\u00c5) channels constructed by four rows of tetra\u00adbutyl\u00adammonium cations, which are arranged along the [011] and [01In the title compound, ( DOI: 10.1107/S1600536811022823/fj2432Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022823/fj2432Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In both FeII complex mol\u00adecules, a distorted octa\u00adhedral coordination geometry has been observed around the Fe atoms. Weak intermolecular C\u2014H\u22efO inter\u00adactions are observed in the crystal structure.The asymmetric unit of the title crystal, [FeCl DOI: 10.1107/S1600536811009305/pv2394Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These complexes are linked into chains parallel to [010] by inter\u00admolecular N\u2014H\u22efO hydrogen bonding between the N\u2014H H atom of the 2-methyl-imidazole ligands and the carboxyl\u00adate O atoms that are not involved in metal coordination.In the crystal structure of the title compound, [Cu(C DOI: 10.1107/S1600536811047969/nc2255Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title compound, [Sn(C6H5)2Cl2(C13H12OS)], displays a distorted C2Cl2O trigonal\u2013bipyramidal coordination environment, with a mean Sn\u2014C distance of 2.121\u2005(9)\u2005\u00c5 and with Sn\u2014O = 2.331\u2005(2)\u2005\u00c5. The SnIV atom is displaced by 0.169\u2005(2)\u2005\u00c5 from the equatorial C2Cl plane towards the direction of the second axially bonded Cl atom.The Sn DOI: 10.1107/S1600536811014474/wm2481Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The oxalate anion has a twofold rotation axis through the mid-point of the C\u2014C bond and acts as a bridging ligand, linking the NiII atoms into a polymeric chain along [010]. Weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds connect the chains, resulting in a three-dimensional supra\u00admolecular structure. >In the title compound, [Ni(C DOI: 10.1107/S1600536811049646/hy2488Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII ion is coordin\u00adated by the NO2 donor atoms of the hydrazide Schiff base ligand, the N atom of the pyridine group and an O atom of the symmetry-related unit. The dihedral angles between the pyridine ring and the two phenyl rings of the ligand are 21.4\u2005(3) and 24.0\u2005(2)\u00b0. The mol\u00adecular structure is stabilized by intra\u00admolecular C\u2014H\u22efO inter\u00adactions.In the crystal structure of the title centrosymmetric dimer, [Cu DOI: 10.1107/S1600536810019902/su2179Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The sulfonate groups doubly bridge symmetry-related NiII centers, forming polymeric chains along the a axis.In the title polymeric complex, [Ni(C DOI: 10.1107/S1600536810020325/bh2285Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Schiff base ligand acts as a chelating ligand and coordinates to the ZnII atom via two N atoms.In the title compound, [ZnBr DOI: 10.1107/S1600536812027997/bt5947Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Rb+ cation is 10-coordinated by O atoms from eight 3,5-dinitro\u00adsalicylate anions and is linked by three \u03bc2-O atoms, forming a zigzag chain along the b-axis direction, which is further linked by the phenyl groups, giving the three-dimensional framework. The crystal structure involves intra-anionic O\u2014H\u22efO hydrogen bonds and strong \u03c0\u2013\u03c0 stacking inter\u00adactions [centroid-centroid distance = 3.6755\u2005(7)\u2005\u00c5].The asymmetric unit of the title compound, [Rb(C DOI: 10.1107/S1600536811008476/om2407Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom in the anion is coordinated by two bidentate oxalate ligands in a distorted square-planar geometry. Inter\u00admolecular hydrogen bonds, involving the NH groups as donors and O atoms as acceptors, are observed, which lead to the formation of a three-dimensional network structure.The asymmetric unit of the title salt, (C DOI: 10.1107/S1600536811025682/wm2502Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal atom is coordinated by a six-coordinate trans-N2S4 donor set with the pyridyl N atoms located in the apical positions. The observed slight deviations from octa\u00adhedral geometry are caused by the bite angle of the bidentate \u03ba2-S2CO-n-Bu ligands [69.48\u2005(1)\u00b0]. The O(CH2)3(CH3) chains of the O-n-butyl dithio\u00adcarbonate units are disordered over two sets of sites with an occupancy ratio of 0.589\u2005(2):0.411\u2005(2).The structure of the title manganese complex, [Mn(C DOI: 10.1107/S1600536811026523/rk2277Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular O\u2014H\u22efO hydrogen bonds link the mol\u00adecules into a three-dimensional supra\u00admolecular network.In the title complex, [Co(C DOI: 10.1107/S1600536811045557/hy2481Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The 4-pybpy ligand, having a twofold rotation axis, functions in a bridging coordination mode, connecting the CoII ions into a corrugated chain along [In the title complex, [Co(CHO DOI: 10.1107/S1600536811021118/hy2424Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two anions are linked by \u03bc3- and \u03bc2-bridged OH units across a center of inversion, forming a dimer which is linked to the cations by N\u2014H\u22efO hydrogen bonds. The cation is disordered over two positions in a 0.776\u2005(4):0.224\u2005(4) ratio in one of the two independent ion pairs in the asymmetric unit, and 0.627\u2005(10):0.373\u2005(10) in the other.In the title ammonium polyoxometallate salt, (C DOI: 10.1107/S1600536811019696/zs2113Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Whereas four HPAA ligands coordinate to just two YbIII atoms, the remaining two ligands bridge the two YbIII atoms. In the crystal structure, O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds link the mol\u00adecules into a three-dimensional network.In the title dinuclear complex, [Yb DOI: 10.1107/S1600536810043643/bt5388Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "This set-up leads to the formation of a 14-membered cyclic dimer. The two pyridine rings coordinated to the Ag+ cation are tilted by 80.19\u2005(7)\u00b0 with respect to each other. Inter\u00admolecular N\u2014H\u22efO hydrogen-bonding inter\u00adactions between the cyclic dimer and the anion exist. A two-dimensional network parallel to the ac plane is constructed by three weak Ag\u22ef inter\u00adactions as well as an F\u22efF contact of 2.890\u2005(4)\u2005\u00c5.In the binuclear title compound, [Ag DOI: 10.1107/S1600536811047908/wm2556Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is best described as a coordination polymer in which the three-dimensional lattice framework is realized by the inter\u00adconnection of the metallic atoms via the O atoms of the aqua, hydroxide and oxalate ligands. One Na atom is hepta\u00adcoordinated by one water, one hydroxide and five oxalate O atoms, whilst the other is penta\u00adcoordinated by one water and four oxalate O atoms. The coordination around the Cr3+ sites is pseudo-octa\u00adhedral, involving four aqua and two hydroxide O atoms. Adjacent Na atoms are separated by 3.593\u2005(2)\u2005\u00c5, whereas the intra\u00addimer Cr\u22efCr spacing is 2.978\u2005(1)\u2005\u00c5. The crystal structure is consolidated by extended relatively weak O\u2014H\u22efO hydrogen bonding with O\u22efO distances ranging from 2.808\u2005(4) to 3.276\u2005(5)\u2005\u00c5.The unit cell of the title compound, poly[[\u03bc-aqua-\u03bc-hydroxido-di-\u03bc-oxalato-chromium(III)disodium] monohydrate], {[CrNa DOI: 10.1107/S1600536810023986/pb2030Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two of the four independent metal sites are occupied by a mixture of Ni and Bi atoms in a 0.106\u2005(6):0.894\u2005(6) and a 0.350\u2005(7):0.650\u2005(7) ratio, respectively.The \u03c4-boride Ni DOI: 10.1107/S1600536811000894/mg2107Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Each CuII atom displays an elongted square-pyramidal CuN2O3 coordination geometry with a slight tetra\u00adhedral distortion in the basal plane. The dimeric units are linked into a three-dimensional network by C\u2014H\u22efO hydrogen bonds.In the structure of the title compound, [Cu DOI: 10.1107/S1600536811020745/mw2004Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "IV atom in the title complex, [V(C11H13BrClN2O)(C5H7O2)O], is six-coordinated by one phenolate O, one imino N and one amino N atom of the tridentate anionic Schiff base ligand, by one oxide O atom, and by two O atoms of an acetyl\u00adacetonate anion, forming a distorted cis-VN2O4 octa\u00adhedral coordination geometry. The deviation of the V atom from the plane defined by the three donor atoms of the Schiff base ligand and one O atom of the acetyl\u00adacetone ligand towards the oxide O atom is 0.256\u2005(2)\u2005\u00c5.The V DOI: 10.1107/S1600536811015406/hb5858Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The InIII atom is in a distorted hexa\u00adgonal\u2013bipyramidal coordination geometry in which the C\u2014In\u2014C angle is 175.44\u2005(12)\u00b0. The crystal structure is stabilized by weak inter\u00admolecular C\u2014H\u22efO hydrogen bonds.In the title compound, [In(CH DOI: 10.1107/S1600536811001899/lh5188Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The ligands are mutually transoid with respect to the metal atom. Weak inter\u00admolecular C\u2014H\u22efCl hydrogen bonds and \u03c0\u2013\u03c0 inter\u00adactions, with centroid\u2013centroid distances of 3.8452\u2005(14) and 3.9932\u2005(14)\u2005\u00c5, are found in the crystal packing.In the title complex, [ZnCl DOI: 10.1107/S1600536811022884/fj2423Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The methanol-coordinated PbII atom is chelated by the acetate anion as well as by the quinoline-2-carboxyl\u00adate anion. One O atom of the quinoline-2-carboxyl\u00adate anion bridges two symmetry-related PbII atoms, forming the dinuclear compound. Aside from the six atoms connected to the PbII atom by regular coordination bonds, the structure features a long Pb\u22efO inter\u00adaction [3.145\u2005(3)\u2005\u00c5] that gives rise to a distorted \u03a8-square-anti\u00adprismatic geometry at the metal center. The H atom of the methanol is hydrogen bonded to an O atom of the acetate.The dinuclear title compound, [Pb DOI: 10.1107/S1600536810027777/xu2798Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One conformation has the rings eclipsed and the other staggered. An intra\u00admolecular C\u2014H\u22efO hydrogen bond forms an S(6) ring motif. In the crystal, inter\u00admolecular C\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds lead to R 2 1(7) ring motifs. The mol\u00adecules are linked into polymeric chains extending along the b axis.In the title compound, [Fe(C DOI: 10.1107/S1600536810023470/ng2774Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Au(I) atom is in an almost linear coordination with a P\u2014Au\u2014Cl angle of 179.22\u2005(4)\u00b0. The complex molecules reside on a twofold rotation axis. The title compound, [Au DOI: 10.1107/S1600536811000109/pb2050Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "DOI: 10.1107/S1600536811036373/vm2118Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811036373/vm2118Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atom, in an octa\u00adhedral enviroment, is coordinated by four N atoms from two 2-methyl\u00adsulfanyl-4-(pyridin-2-yl)pyrimidine ligands and two Cl atoms.The asymmetric unit of the title compound, [CoCl DOI: 10.1107/S1600536811030881/vm2113Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A two-dimensional polymer is generated, lying parallel to (100), within which there are water\u2013carboxyl\u00adate O\u2014H\u22efO hy\u00addro\u00adgen-bonding inter\u00adactions.In the structure of the title complex, [Cs(C DOI: 10.1107/S1600536813029395/wm2781Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813029395/wm2781Isup3.cmlSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "Each 1,10-phenanthroline ligand displays a bidentate chelating coordinating mode and the 4-sulfonato\u00adbenzotriazolide ions act as \u03bc2-bridges, linking different Zn2+ cations into a chain along the b axis. The crystal structure is consolidated by C\u2014H\u22efO hydrogen-bonding inter\u00adactions.In the title complex, [Zn(C DOI: 10.1107/S160053681104743X/pv2482Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104743X/pv2482Isup3.cdx Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A nitrate and a half-occupancy water ligand form long coordination bonds to the PbII ions capping the trigonal\u2013prismatic environment. In the crystal, the components are linked by N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds, forming a three-dimensional network. C\u2014H\u22efO inter\u00adactions also occur.In the title compound, [Pb(NO For a r al. 2007. For the al. 1982. 3)(C38H38N10)][Pb(C38H38N10)(H2O)0.5](NO3)3\u00b72H2O = 0.045 wR(F 2) = 0.101 S = 0.96 15546 reflections1051 parametersH-atom parameters constrainedmax = 1.81 e \u00c5\u22123 \u0394\u03c1min = \u22120.54 e \u00c5\u22123 \u0394\u03c1 SMART used to solve structure: SHELXS97 global, I. DOI: 10.1107/S1600536811050082/lh5344Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CuII atom displays an elongated square-pyramidal CuN2O3 coordination geometry with a slight tetra\u00adhedral distortion of the basal plane [maximum deviation = 0.249\u2005(2)\u2005\u00c5]. The dihedral angle formed by the imidazole rings is 26.20\u2005(10)\u00b0.In the binuclear title compound, [Cu DOI: 10.1107/S1600536812009804/rz2715Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The two aromatic rings make a dihedral angle of 77.4\u2005(1)\u00b0. In the crystal, the molecules are linked by N\u2014H\u22efO hydrogen bonds, forming C(4) chains propagating in [010].In the mol\u00adecular structure of the title compound, C DOI: 10.1107/S1600536811047271/bt5712Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047271/bt5712Isup3.cml Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "It adopts structure type IV of the MRE(PO3)4 family of compounds. The structure is composed of a three-dimensional framework made up from double spiral polyphosphate chains parallel to [10-1] and irregular [YbO8] polyhedra. There are eight PO4 tetra\u00adhedra in the repeat unit of the polyphosphate chains. The Rb+ cation is located in channels extending along [100] that are delimited by the three-dimensional framework. It is surrounded by 11 O atoms, defining an irregular polyhedron.Rubidium ytterbium(III) tetra\u00adkis\u00ad(polyphosphate), RbYb(PO DOI: Click here for additional data file.10.1107/S1600536812050969/wm2707Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "A weak intra\u00admolecular C\u2014H\u22efO hydrogen bond occurs between the DMBP and DMSO ligands. \u03c0\u2013\u03c0 stacking between pyridine rings [centroid\u2013centroid distances = 3.682\u2005(3) and 3.598\u2005(3)\u2005\u00c5] is observed in the crystal.In the title compound, [CdBr DOI: 10.1107/S1600536812028553/xu5571Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The carboxyl\u00adate groups of the ppmp anions and the water mol\u00adecules bridge the Na cations, forming a two-dimensional polymeric structure. In the structure there are two types of coordination environment around the metal cations: one Na cation is coordinated by five O atoms in a distorted square-pyramidal geometry while the other four Na cations are coordinated by six O atoms in a distorted octa\u00adhedral geometry. Extensive O\u2014H\u22efO and O\u2014H\u22efN hydrogen bonding is present in the crystal structure. The H atoms of one methyl group of the ppmp anion are disordered equally over two positions.The asymmetric unit of the title polymer, {[Na DOI: 10.1107/S1600536810028515/xu2795Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The SnIV atom lies on a special position of 2/m site symmetry, the methyl C atom on a special position of 2 site symmetry, and the thio\u00adcyanate and 4,4\u2032-bipyridine on a special position of m site symmetry.The title dimethyl\u00adtin diisothio\u00adcyanate adduct of 4,4\u2032-bipyridine, [Sn(CH DOI: 10.1107/S1600536811005459/si2334Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, there are aromatic \u03c0\u2013\u03c0 contacts between the pyridine rings [centroid\u2013centroid distances = 3.9577\u2005(13)\u2005\u00c5] and inter\u00admolecular O\u2014H\u22efO and C\u2014H\u22efO hydrogen bonds.In the title compound, [Zn(NO DOI: 10.1107/S1600536811050227/bt5709Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two CoIII atoms, which have a slightly distorted octa\u00adhedral coordination, are connected through a peroxido bridge; the O\u2014O distance is 1.476\u2005(3)\u2005\u00c5. Both acetonitrile ligands are situated in a trans position with respect to the O\u2014O bridge. In the crystal, the complex cations are connected by N\u2014H\u22efO hydrogen bonds between ethyl\u00adendiamine NH groups and O atoms from the perchlorate anions and peroxide O atoms.The title compound, [Co DOI: 10.1107/S1600536810047653/vm2054Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "A three-dimensional network is generated by inter\u00admolecular N\u2014H\u22efO and O\u2014H\u22efO hydrogen-bonding interactions involving the cation, the complex anion and the lattice water molecule.In the title compound, (C DOI: 10.1107/S1600536813022058/mw2113Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The Mo6+ centre adopts a highly distorted octa\u00adhedral geometry, being surrounded by four chloride and two terminal oxide groups. The oxide ligands are mutually cis.In the title compound, (C DOI: 10.1107/S1600536810023950/sj5018Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, inter\u00admolecular C\u2014H\u22efN and C\u2014H\u22efO hydrogen bonds are effective in the stabilization of the structure.In the title compound, [Hg(NCS) DOI: 10.1107/S1600536811008142/hy2412Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two symmetry-related azide ligands bridge in \u03bc2-modes giving a Cu\u22efCu distance of 3.533\u2005(2)\u2005\u00c5. In the crystal, N\u2014H\u22efO and O\u2014H\u22efO hydrogen bonds link the components into a three-dimensional network. In addition, there are weak inter\u00admolecular C\u2014H\u22efN hydrogen bonds and \u03c0\u2013\u03c0 stacking inter\u00adactions with centroid\u2013centroid distances ranging from 3.562\u2005(2) to 3.974\u2005(2)\u2005\u00c5. In the centrosymmetric dinuclear title complex, [Cu DOI: 10.1107/S1600536811045909/lh5362Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The NiII atom is chelated by three H2biim ligands in a distorted octa\u00adhedral coordination geometry. The two nitrate anions and one dimethyl\u00adformamide (DMF) mol\u00adecule are not coordinated. The compound has a three-dimensional structure, formed by extensive hydrogen bonding between [Ni(H2biim)3]2+ cations and nitrate anions, each nitrate anion forming hydrogen bonds with an R 1 2(4) motif. The DMF molecule is disordered over three sets of sites, with occupancy ratios of 0.341\u2005(16):0.350\u2005(17):0.309\u2005(19).The reaction of nickel salts and 4,4\u2032-bipyridine with 2,2\u2032-bi\u00adimidazole (H DOI: 10.1107/S1600536811043030/zk2032Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "These chains are linked into layers parallel to (010) and finally linked by MoO4 tetra\u00adhedra into a three-dimensional framework structure with channels parallel to [001] in which lithium and aluminium cations equally occupy the same position within a distorted trigonal\u2013bipyramidal coordination environment. The title structure is isotypic with LiMgIn(MoO4)3, with the In site becoming an Mg site and the fully occupied Li site a statistically occupied Li/Al site in the title structure.The title compound, lithium/aluminium dimagnesium tetra\u00adkis\u00ad[orthomolybdate(VI)], was prepared by a solid-state reaction route. The crystal structure is built up from MgO DOI: 10.1107/S1600536813022046/wm2760Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The complex mol\u00adecule has an inversion center lying at the mid-point of the Cu\u2014Cu bond.The binuclear title compound, [Cu DOI: 10.1107/S1600536811029837/hy2450Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The five-membered chelate ring is puckered on the C\u2014C bond. In the title compound, [RuCl DOI: 10.1107/S1600536811022227/hb5901Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Distinct coordination modes are found for the bridging ligands, i.e., a \u03bc2,\u03ba2-bridging mode involving pyridine N atoms for one ligand, and a \u03bc2,\u03ba4-bridging mode, employing both pyridine N and amide O atoms for the remaining ligands. The Ag+ cations, which are in a distorted square-pyramidal coordination, and the ligands combine to form a two-dimensional array parallel to (101); these arrays are connected into a three-dimensional structure by trifluoro\u00admethane\u00adsulfonate anions via N\u2014H\u22efO, C\u2014H\u22efO, and C\u2014F\u22efO inter\u00adactions.The asymmetric unit of the title salt, [Ag(C DOI: 10.1107/S1600536810033611/pv2322Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The diisopropyl\u00adphosphanyl-closo-carborane ligand is coordinated in a bidentate manner to the AgI atom through the two P atoms. The coordination of the AgI atom is distorted tetra\u00adhedral, in which two vertices are formed by the P atoms of the chelating diphosphine ligand, and the other two are occupied by the S and N atoms of the two bridging thio\u00adcyanate anions, leading to a centrosymmetric binuclear complex. The distance between the two C atoms in the carborane skeleton is 1.851\u2005(6)\u2005\u00c5.The title compound, [Ag DOI: 10.1107/S1600536810049263/gk2319Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The geometry around the CoII ion is a distorted tetra\u00adhedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19\u2005(15) and 47.20\u2005(16)\u00b0, while that between the coordination planes is 79.77\u2005(7)\u00b0.The asymmetric unit of the title compound, [Co(C DOI: 10.1107/S1600536811020976/bg2405Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The structure is isotypic with the apatite supergroup family having the generic formula IX M12 VII M23(IV TO4)3 X, where M = alkaline earth and rare earth metals, T = Si and X = O. The M1 site (3.. symmetry) is occupied by Pr and Sr atoms with almost even proportions and is surrounded by nine O atoms forming a tricapped trigonal prism. The M2 site (m.. symmetry) is almost exclusively occupied by Pr and surrounded by seven O atoms, forming a distorted penta\u00adgonal bipyramid. The Si atom (m.. symmetry) is surrounded by two O (m.. symmetry) and two O atoms in general positions, forming an isolated SiO4 tetra\u00adhedron. Another O atom at the inversion centre oxide, SrPr DOI: 10.1107/S1600536810033349/wm2391Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The CoII atom occupies a special position on a twofold rotation axis. In the crystal, mol\u00adecules are linked via weak C\u2014H\u22efBr inter\u00adactions. In the title complex, [Co(C DOI: 10.1107/S160053681104459X/br2176Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The MnII atom is six-coordinated by 2\u2212 anions in a tridentate fashion and is at the centre of a distorted octa\u00adhedron formed by the MnO4N2 bonding set. In the crystal, various inter\u00admolecular inter\u00adactions between different moieties can be found, such as different kinds of hydrogen bonds, offset or slipped \u03c0\u2013\u03c0 [centroid\u2013centroid distances in the range 3.3704\u2005(12) to 3.8674\u2005(13)\u00c5] and C=O\u22ef\u03c0 [3.563\u2005\u00c5] inter\u00adactions, which lead to the formation of a three-dimensional supra\u00admolecular network. The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811036981/om2447Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The two Sn atoms exist in trans-C2SnNO4 penta\u00adgonal-bipyramidal geometries. Adjacent dinuclear units are linked by O\u2014H\u22efN hydrogen bonds, generating a linear chain, which propagates in the b-axis direction. O\u2014H\u22efO inter\u00adactions are also observed.Two nicotinate binding modes are observed in the dinuclear title compound, [Sn DOI: 10.1107/S1600536810028643/nk2048Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The metal ion shows a slightly distorted octa\u00adhedral coordination geometry, being linked to two N atoms of two 1,4-bis\u00ad(imidazol-1-yl)benzene ligands and to two O and two N atoms of two chelating 2-amino\u00adethane\u00adsulfonate ligands. The 1,4-bis\u00ad(imidazol-1-yl)benzene ligands bridge symmetry-related NiII ions forming polymeric chains along the [110] direction.In the hydro\u00adthermally prepared title coordination polymer, [Ni(C DOI: 10.1107/S1600536811009238/gk2349Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The amide N atom is a hydrogen-bond donor to the uncoordinated carboxyl\u00adate O atom. The geometry at the five-coordinate Sn atom is trans-C3SnO2 trigonal-bipyramidal.In the title polymeric complex, [Sn(C DOI: 10.1107/S1600536810026978/xu2796Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The PdII atom lies in a square-planar geometry defined by four N atoms which form equivalent Pd\u2014N inter\u00adactions. The 4-cyano\u00adpyridine ligands are twisted out of the N4 plane, forming dihedral angles ranging from 66.5\u2005(2) to 89.9\u2005(2)\u00b0. In the crystal packing, columns of edge-to-edge dications define channels in which reside the anions. A range of C\u2014H\u22efN and C\u2014H\u22efO hydrogen-bonding interactions stabilizes the crystal packing.The title salt, [Pd(C DOI: 10.1107/S1600536810027704/ez2223Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The largest distortions from ideal geometry are reflected in the smaller than usual P\u2014Ni\u2014P [163.95\u2005(3)\u00b0] and P\u2014Ni\u2014C [82.06\u2005(6)\u00b0] angles. The OH ligand does not form intra- or inter\u00admolecular hydrogen bonds.The mol\u00adecule of the title complex, [Ni(C DOI: 10.1107/S1600536811014267/lh5216Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "One of the coordinated nitrate anions is disordered over two set of sites in a 0.85:0.15 ratio.The crystal structure of the title compound, [Cu(NO DOI: 10.1107/S1600536811005290/nc2216Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit comprises one nickel cation, two thio\u00adcyanate anions and two actonitrile mol\u00adecules. In the crystal, the NiII cations are connected by bridging thio\u00adcyanate anions into a three-dimensional coordination network.In the title compound, [Ni(NCS) DOI: 10.1107/S1600536811004132/im2264Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "N-heterocycle in the mononuclear title compound, [Pb(C6H5N2O2)2(C12H8N2)], O,O\u2032- and N,N\u2032-chelate to the PbII atom, the geometry of which is a distorted \u03a8-penta\u00adgonal bipyramid.The two cupferronate ions and the DOI: 10.1107/S1600536811006787/bt5481Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "O atoms of adjacent mol\u00adecules coordinate in the axial positions. Jahn\u2013Teller tetra\u00adgonal distortion is evident in the coordination geometry . The structure is propagated by an infinite chain of eight-membered (Cu\u2014O\u2014S\u2014O)2 ring systems along the a axis. Only N\u2014H\u22efO hydrogen bonding exists between the chains. In the title compound, [Cu(C DOI: 10.1107/S160053681103409X/om2453Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The indole core has the expected planar geometry in the two mol\u00adecules, with a maximum deviation of 0.008\u2005(8)\u2005\u00c5 from the least-squares plane defined by the nine constituent atoms, and the dihedral angles between the indole and tetra\u00adzole rings are similar [42.4\u2005(2) and 42.7\u2005(2)\u00b0].There are two mol\u00adecules with similar configurations in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536810033271/bx2301Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "Two pyridine-2-carboxamide oximate anions bridge two ZnII cations to form the centrosymmetric dinuclear mol\u00adecule. Extensive O\u2014H\u22efO, N\u2014H\u22efO and O\u2014H\u22efN hydrogen bonds are present in the crystal structure.In the title dinuclear compound, [Zn DOI: 10.1107/S1600536811034908/xu5304Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The trimer unit has an Au\u22efAu distance of 3.1687\u2005(3)\u2005\u00c5. In both the monomeric and trimeric units, the AuI atoms are also bonded to two S atoms. Within the trimeric unit, the AuI atoms exist in differing environments; one Au atom has a T-shaped three-coordinate geometry while the other has a square-planar four-coordinate geometry. The AuI atom of the monomer adopts a linear two-coordinate geometry. The extended structure can be described as a three-dimensional coordination polymer consisting of chains of Ba atoms bridged by thio\u00adcyanate N atoms. These chains are cross-linked via the gold monomeric and trimeric units.The noteworthy structural feature of the title complex, poly[acetonitrile\u00adtetra-\u03bc DOI: 10.1107/S1600536810021276/bg2340Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, mol\u00adecules are held together by inter\u00admolecular O\u2014H\u22efO and N\u2014H\u22efO hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536811030637/qm2020Isup2.hkl Structure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the crystal, the almost symmetrically bridging \u03bc2-C=N-R ligand (neglecting the different atomic radii of Fe and Pt) is strongly bent towards the Fe(CO)3 fragment, with a C=N-R angle of only 121.1\u2005(4)\u00b0.The title compound, [FePt(C DOI: 10.1107/S1600536812004023/fi2121Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The mol\u00adecules form an inversion dimer via a pair of weak C\u2014H\u22efO hydrogen bonds and a \u03c0\u2013\u03c0 stacking inter\u00adaction with a centroid\u2013centroid distance of 3.7401\u2005(12)\u2005\u00c5. Weak intra\u00admolecular C\u2014H\u22efBr inter\u00adactions and an intra\u00admolecular \u03c0\u2013\u03c0 stacking inter\u00adaction with a centroid\u2013centroid distance of 3.8118\u2005(15)\u2005\u00c5 are also observed.In the title compound, [MoBr DOI: 10.1107/S1600536811015881/is2705Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Re\u2014C bond distance for the CO ligand trans to the P atom is, due to its trans influence, elongated to 1.943\u2005(3)\u2005\u00c5, showing that this CO ligand is more weakly bound to the Re centre than the other two.The structure of the title complex, [ReBr(C DOI: 10.1107/S1600536812035957/vn2046Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035957/vn2046Isup3.molSupplementary material file. DOI: crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:"} {"text": "The second CuII atom is five-coordinated with a distorted square-pyramidal coordination sphere comprising a single bidentate chelating pyrimidine-2-carboxyl\u00adate anion and three azide N anions, two of which doubly bridge centrosymmetric CuII centres, giving a two-dimensional network structure extending parallel to (010).In the title compound, [Cu DOI: 10.1107/S1600536810027030/zs2045Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The coordination environment of each CuII cation is distorted octa\u00adhedral, composed of four bridging acetate ligands, an apical pyridine donor and is completed by a Cu\u2014Cu bond. The amide H atom forms intra\u00admolecular hydrogen bonds to two carboxyl O atoms. In the crystal, weak inter\u00admolecular pyridine\u2013amide C\u2014H\u22efO inter\u00adactions are also present.The crystal structure of the title compound, [Cu DOI: 10.1107/S1600536811050124/sj5186Isup2.hkl Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050124/sj5186Isup3.mol Supplementary material file. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The Sn atom lies on a center of symmetry and is six-coordinated. It has a distorted octahedral SnC2Cl4 environment with the Cl atoms in cis positions. The Cl atoms are connected to dimethyl\u00adammonium cations through N\u2014H\u22efCl hydrogen bonds, forming an infinite chain extending parallel to [010].Regular crystals of the title compound, (C DOI: 10.1107/S1600536811013584/br2163Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "H atoms located on the two N atoms are involved in intra\u00admolecular hydrogen bonds with the deprotonated phenol O atoms, indicating that proton migration occurs during the lanthanum complexation.In the title mononuclear complex, [La(NO DOI: 10.1107/S1600536810033453/vm2037Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "In the [FeBr4]\u2212 anion, the FeIII atom (3 symmetry) is four-coordinated in a distorted tetra\u00adhedral geometry. In the crystal, inter\u00admolecular C\u2014H\u22efBr hydrogen bonds and Br\u22ef\u03c0 inter\u00adactions [Br\u22efcentroid distances = 3.562\u2005(3) and 3.765\u2005(2)\u2005\u00c5] link the cations and anions, stabilizing the structure.In the [Fe DOI: 10.1107/S1600536811004181/hy2404Isup2.hkl Structure factors: contains datablocks I. DOI: crystallographic information; 3D view; checkCIF report Additional supplementary materials:"} {"text": "The asymmetric unit contains one half of a [K(18-crown-6)]+ cation and one half of an SbPh2\u2212 anion, with the central element lying on a twofold axis and a centre of inversion, respectively. In the crystal structure, the sequestered potassium cations show weak inter\u00adactions with the \u03c0-electrons of the phenyl groups of the SbPh2\u2212 anion [shortest K\u22efC distances = 3.190\u2005(2) and 3.441\u2005(2)\u2005\u00c5], leading to one-dimensional strands along the crystallographic c axis. These strands are aligned in a pseudo-hexa\u00adgonal packing perpendicular to the ab plane.Red crystals of the title salt, [K(C DOI: 10.1107/S1600536814013282/ff2129Isup2.hklStructure factors: contains datablock(s) I. DOI: 1007141CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The terephthalate dianion, located about a centre of inversion, is not coordinated to ZnII but is connected through O\u2014H\u22efO contacts with [Zn(BHEA)2]2+ cations, leading to a three-dimensional crystal structure.In the title salt, [Zn(C DOI: 10.1107/S1600536814021771/tk5343Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814021771/tk5343fig1.tifx y z x y z . DOI: x, \u2212y, \u2212z, and those in the dianion by 1-x, \u22121-y, 1-z.A view of the ions in the title salt. Displacement ellipsoids are drawn at the 30% probability level. Unlabelled atoms in the cation are related by 1-Click here for additional data file.10.1107/S1600536814021771/tk5343fig2.tif. DOI: A view of the crystal structure of the title salt. Hydrogen bonds are shown as dashed lines.1027329CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The structure can be described as being composed of MnO6 octa\u00adhedra sharing corners with MoO4 tetra\u00adhedra. The three-dimensional framework contains cavities in which the rubidium ions are located. The Rb+ cations are within distorted nine- and 12-vertex polyhedra. The pairs of different Mn2+ and Rb+ cations are each located on threefold rotation axes.. Rb2Mn2(MoO4)3 is isotypic with compounds of the Cs2M2Mo3O12 family. A comparative structural description is provided between the structure of the title compound and those of related phases. Differences with structures such as alluaudite are discussed.The title compound, dirubidium dimanganese(II) tris\u00ad(tetra\u00adoxo\u00admolyb\u00addate), Rb DOI: 10.1107/S1600536814013099/ru2059Isup2.hklStructure factors: contains datablock(s) I. DOI: 1006923CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the crystal, complex cations are arranged in hexa\u00adgonally packed rows parallel to [010], with the chloride counter-anions situated in between. The inter\u00adactions between cations and anions are mainly ionic in nature.In the complex cation of the title salt, [CrCl(C DOI: 10.1107/S1600536814015852/wm5034Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814015852/wm5034fig1.tif. DOI: The asymmetric unit of the title compound, with the atom-numbering scheme and displacement ellipsoids drawn at the 30% probability level.Click here for additional data file.10.1107/S1600536814015852/wm5034fig2.tif. DOI: The crystal structure of the title compound in a perspective view along [100].1012642CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The precision of this study is an order of magnitude greater than that of the first polymorph .A new polymorph of the title compound 2-(\u03b7-C C2/c polymorph, see: Lopez et al. (20105H5)CoC2B9H11 isomers, see: Smith & Welch (C2H11B9)] = 0.022wR(F2) = 0.058S = 1.035019 reflections218 parametersAll H-atom parameters refinedmax = 0.41 e \u00c5\u22123\u0394\u03c1min = \u22120.41 e \u00c5\u22123\u0394\u03c1APEX2 used to solve structure: SHELXS97 I. DOI: 10.1107/S2056989015011445/pj2020Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2056989015011445/pj2020Isup3.molSupporting information file. DOI: Click here for additional data file.10.1107/S2056989015011445/pj2020fig1.tif. DOI: Perspective view of the title compound with atom numbering and displacement ellipsoids drawn at the 50% probability level except for H atoms.Click here for additional data file.10.1107/S2056989015011445/pj2020fig2.tif. DOI: Packing diagram of the title compound.1406489CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "These \u03bc-1,3-bridging thio\u00adcyante anions bridge the CdII cations, forming chains that propagate parallel to the b axis.In the crystal structure of the title compound, [Cd(NCS) DOI: 10.1107/S1600536814024647/pk2535Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814024647/pk2535fig1.tif. DOI: Crystal structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry code: i: ; ii: .1033510CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "Weak C\u2014H\u22efO inter\u00adactions help to direct the packing, forming sheets lying parallel to (020).In the title compound, C DOI: 10.1107/S2056989015008324/lr2135Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2056989015008324/lr2135Isup3.cmlSupporting information file. DOI: Click here for additional data file.10.1107/S2056989015008324/lr2135fig1.tif. DOI: The title mol\u00adecule with labeling scheme and 50% probability ellipsoids.Click here for additional data file.10.1107/S2056989015008324/lr2135fig2.tif . DOI: Packing viewed towards the (101062089CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The anion adopts a distorted tetra\u00adhedral geometry. Bifurcated interionic N\u2014H\u22efCl hydrogen bonds and several C\u2014H\u22efCl contacts are observed, leading to a layer-like arrangement of the components parallel to (100).The title compound, (C DOI: 10.1107/S2056989015006799/ff2135Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2056989015006799/ff2135Isup3.molSupporting information file. DOI: Click here for additional data file.10.1107/S2056989015006799/ff2135Isup4.cmlSupporting information file. DOI: Click here for additional data file.10.1107/S2056989015006799/ff2135fig1.tif. DOI: Ion pair of the title compound, with atom labels and 50% probability displacement ellipsoids for non-H atoms.Click here for additional data file.10.1107/S2056989015006799/ff2135fig2.tifx y z x y z x y z . DOI: x, \u22121\u00a0+\u00a0y, z; (ii) \u2013x, \u2212y, 3/2\u2013z; (iii) x, 1/2\u2013y, z.Inter\u00adionic contacts in the crystal structure of the title compound. Symmetry codes: (i) 1057934CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The deprotonated hydroxyl groups of the piperidineethanolate anions bridge CuII cations, forming the tetra\u00adnuclear complex. All piperidine rings display a chair conformation. In the crystal, there are no significant inter\u00admolecular inter\u00adactions present. The crystal studied was an inversion twin refined with a minor component of 0.18\u2005(5). In the title tetra\u00adnuclear compound, [Cu DOI: 10.1107/S1600536814009052/xu5784Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814009052/xu5784Isup3.cdxSupporting information file. DOI: 998731CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "O\u2014H\u22efN hydrogen bonds to the anions generate layers parallel to (100) which have the chloro\u00adbenzene\u00adcyano\u00adethenyl substituents protruding from both surfaces. The sodium ion makes a short contact of 2.4801\u2005(13)\u2005\u00c5 with the N atom of the tetra\u00adzolide ring which is syn to the cyano N atom.In the title compound, [Na(C DOI: 10.1107/S2056989015006325/tk5364Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2056989015006325/tk5364fig1.tif. DOI: Title compound with numbering scheme and 50% probability ellipsoids.Click here for additional data file.10.1107/S2056989015006325/tk5364fig2.tif2 2 + n x y z x y z x y z x y z x y z x y z . DOI: 2O)2]+}n chain (symmetry operations: (i) x, 1\u00a0+\u00a0y, z, (ii) 2\u00a0\u2212\u00a0x, y, z, (iii) x, \u22121\u00a0+\u00a0y, z, (iv) 2\u00a0\u2212\u00a0x, \u2212y, z, (v) 2\u00a0\u2212\u00a0x, \u2212y, z, (vi) x, \u22122\u00a0+\u00a0y, z).A portion of the {[Na(HClick here for additional data file.10.1107/S2056989015006325/tk5364fig3.tifb . DOI: b axis.Packing viewed along the Click here for additional data file.10.1107/S2056989015006325/tk5364fig4.tif. DOI: Elevation view of the chain structure.1056677CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The hafna\u00adcyclo\u00adpentane ring has a twist conformation and is substituted by two ethyl groups in the \u03b2,\u03b2\u2032-positions, which are trans orientated to each other. One cyclo\u00adpenta\u00addienyl ring and one ethyl group are each disordered over two positions with site-occupancy ratios of 0.679\u2005(15):0.321\u2005(15) and 0.702\u2005(18):0.298\u2005(18), respectively.The title compound, [Hf(C DOI: 10.1107/S2056989014026929/is5384Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2056989014026929/is5384fig1.tif. DOI: Mol\u00adecular structure of the title compound with atom labelling and displacement ellipsoids drawn at 30% probability level. H atoms have been omitted for clarity.1038060CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The main structural feature is the presence of infinite chains of edge-sharing X2O10 (X = Co/Na) dimers, which are linked by MoO4 tetra\u00adhedra, forming a three-dimensional framework enclosing two types of hexa\u00adgonal tunnels in which Na+ cations reside. In this alluaudite structure, Co and Na atoms are located at the same general site with occupancies of 0.503\u2005(5) and 0.497\u2005(6), respectively. The other three Na and one of the two Mo atoms lie on special positions . The structure is compared with similar structures and other members of alluaudite family.The title compound, tetra\u00adsodium cobalt(II) tris\u00ad[molyb\u00addate(IV)], was prepared by solid-state reactions. The structure is isotypic with Na DOI: 10.1107/S1600536814016729/br2240Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814016729/br2240fig1.tifasym 4 4 3 Code de sym\u00e9trie x y z x y z x y z x y z x y z x y z . DOI: asym\u00e9trique dans Na4Co(MoO4)3. Les \u00e9llipso\u00efdes ont \u00e9t\u00e9 d\u00e9finis avec 50% de probabilit\u00e9. [Code de sym\u00e9trie]: (i) \u2212x,y,-z\u00a0+\u00a0x,y\u00a0+\u00a01,z; (iii) x,-y\u00a0+\u00a01,z\u00a0\u2212\u00a01/2; (iv) \u2212x\u00a0+\u00a0y\u00a0+\u00a0z\u00a0+\u00a01; (v) x,-y\u00a0+\u00a01,z\u00a0+\u00a01/2; (vi) \u2212x\u00a0+\u00a0y\u00a0\u2212\u00a01/2,-z\u00a0+\u00a0Unit\u00e9 Click here for additional data file.10.1107/S1600536814016729/br2240fig2.tifa 8 b 2 2 14 . DOI: a) des cha\u00eenes classiques CoMoO8, (b) des rubans de type Co2Mo2O14.Repr\u00e9sentation: .Click here for additional data file.10.1107/S1600536814016729/br2240fig4.tif4 4 3 c . DOI: 4Co(MoO4)3 selon c.Projection de la structure de NaClick here for additional data file.10.1107/S1600536814016729/br2240fig5.tif2 3 4 3 c 3+ 6 . DOI: 2Mn3(AsO4)3, selon c, montrant la disposition des octa\u00ad\u00e8dres Mn3+O6.Projection de la structure de KClick here for additional data file.10.1107/S1600536814016729/br2240fig6.tif1,09 3,46 4 3 a . DOI: 1,09Mn3,46(AsO4)3, selon a, montrant la jonction des octa\u00ad\u00e8des par ar\u00eates.Projection de la structure de AgClick here for additional data file.10.1107/S1600536814016729/br2240fig7.tif4 4 3 b . DOI: 4Fe(MoO4)3, selon b, mettant en \u00e9vidence les espaces inter-couches.Projection de la structure de Cs1015075CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "In the packed structure, columns of complex moieties are stacked such that the neighboring units are oriented at 180\u00b0 and laterally displaced with respect to each other. This prevents any overlap of the phenanthroline rings and thus there is no possibility of any \u03c0\u2013\u03c0 inter\u00adactions between aromatic rings.In the title complex, [PtCl DOI: 10.1107/S160053681303256X/mw2118Isup2.hklStructure factors: contains datablock(s) I. DOI: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The asymmetric unit contains one cation and one tetrahedral anion, both in general positions. Based on comparison of the four carbonyl C\u2014O bond lengths and C\u2014Co\u2014C angles, the anion is unperturbed by the cation, which is normal for an alkali metal fully encased by a cryptand cage.The title salt, [K(C DOI: 10.1107/S1600536814006758/nk2222Isup2.hklStructure factors: contains datablock(s) I. DOI: 993915CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The central coordination angles with the PdII atom range from 83.14\u2005(10) to 97.25\u2005(12)\u00b0.In the title compound, [Pd(CF DOI: 10.1107/S1600536814007855/vn2082Isup2.hklStructure factors: contains datablock(s) I. DOI: 996158CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "Inorg. DOI: 10.1107/S1600536814013336/hb7216Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814013336/hb7216Isup3.cdxSupporting information file. DOI: 1007160CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The crystal structure features C\u2014H\u22efO hydrogen bonds and a weak C\u2014H\u22ef\u03c0 inter\u00adaction.In the title compound, C DOI: 10.1107/S2414314620001431/is4040Isup2.hklStructure factors: contains datablock(s) I. DOI: 1981292CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"} {"text": "The title compound features carb\u00adoxy\u00adlic acid inversion dimers in its extended structure. 15H14O3, the dihedral angle between the aromatic rings is 86.7\u2005(9)\u00b0. In the crystal, carb\u00adoxy\u00adlic acid inversion dimers linked by pairwise O\u2014H\u22efO hydrogen bonds are formed.In the title compound, C Many anthranilic acids are polymorphic I. DOI: 10.1107/S2414314623006004/hb4431Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S2414314623006004/hb4431Isup3.cmlSupporting information file. DOI: 2280192CCDC reference: crystallographic information; 3D view; checkCIF reportAdditional supporting information:"}