The centroid–centroid distance between the central phenylene ring and the aromatic ring of the benzyl group is 4.028 (12) Å. In the crystal, intermolecular N—H⋯O hydrogen bond generate a chain along (100). C—H⋯O interactions 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:


The [{Cp(CO)2Fe}2Sn(OH)2] and water molecules are linked by O—H⋯O 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:


The relative stereochemistry of the three stereogenic C atoms in each ligand has been determined. In the crystal, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the molecules into layers parallel to the bc plane. The crystal studied was twinned by pseudomerohedry with twin fractions of 0.719 (3) and 0.281 (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:


The structure contains one-dimensional {[Pb3I10]4−}n polymeric anions spreading parallel to [001], resulting from face–face–edge association of PbI6 distorted octahedra. One of the PbII cations is imposed at an inversion centre, whereas the second occupies a general position. N—H⋯I hydrogen bonds connect the organic cations and inorganic anions.The organic–inorganic hybrid, {(C DOI: 10.1107/S160053681100941X/yk2002Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


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(phosphate), RbSn DOI: 10.1107/S1600536811014310/wm2466Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridine rings are nearly perpendicular to each other [dihedral angle = 84.49 (16)°]. The crystal packing is stabilized by intramolecular and intermolecular N—H⋯O hydrogen-bonding interactions.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:


The central P—N—P angle [144.12 (13)°] of the cation is in the expected range and indicates only weak cation–anion interactions. The almost linear [Cl—H—Cl]− anion is a rare example of a symmetric hydrogen bridge in a hydrogen dichloride anion. The Cl⋯Cl distance and two equal Cl—H 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:


The metal atom shows a distorted square-planar coordination environment, with a P—Pt—P angle of 172.41 (3)° as the most prominent feature. Both isopropyl fragments were treated as disordered over two conformations with occupancy ratios of 0.55 (2):0.45 (2) and 0.58 (2):0.42 (2). The solvent molecule 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:


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—H⋯O 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:


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—H⋯O 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:


In the crystal structure, carboxylate 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:


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 intermolecular N—H⋯O 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:


Each ZnII atom has a distorted square-pyramidal coordination geometry and the Zn4(μ-OMe)2 unit lies in the cleft formed by two distinctly bent Schiff base ligands. The observed molecular shape is supported by an intramolecular π–π interaction between one of the phenolate rings on each of the two ligands [centroid–centroid distance = 3.491 (5) Å]. 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:


The 5-hydroxyisophthalate anions bridge the Cd cations, forming a two-dimensional polymeric complex parallel to (100). In the complex, the hydroxy group is linked to the uncoordinated carboxy-O atom via an O—H⋯O hydrogen bond. Weak C—H⋯O hydrogen bonds are also present in the crystal structure. One of the methyl groups is disordered over two positions in a 0.536 (11):0.464 (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:


A distorted octahedral coordination geometry of the CoII atom results from ligation of an H atom, which is part of an agostic B—H⋯Co interaction [H⋯Co = 2.12 (3) Å], and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. Weak intra- and intermolecular C—F⋯π interactions with F⋯centroid distances ranging from 3.025 (4) to 3.605 (4) Å 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:


Intermolecular O—H⋯O hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by π–π interactions between the pyridyl and benzene rings of the phenanthroline ligands [centroid–centroid distances = 3.591 (1) and 3.610 (1) Å].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:


The Cs+ cation is six-coordinated by O atoms derived from two oxido and four carboxylate O atoms; each O atom in the anion bridges two Cs+ cations. In the crystal, intermolecular N—H⋯O 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:


The molecular structure is comprised of two hydrotris(1-pyrazolyl)borate ligands (Tp−) and a central FeII ion, which is coordinated by six pyrazole N atoms from two two Tp− 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:


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:


The other carboxylate O atom of the benzoate ligand interacts weakly with the Sn atom, with an Sn⋯O distance of 2.790 (2) Å, which causes a distortion of the tetrahedral 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:


The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯O 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:


Cl] = 0.097                           wR(F                           2) = 0.305                           S = 0.93                           14011 reflections869 parametersH-atom parameters constrainedmax = 1.01 e Å−3                        Δρmin = −0.97 e Å−3                        Δρ                                 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:


The piperazinediium cation adopts a chair conformation and the CoII ion is six-coordinated in an N2O4 environment, having a distorted octahedral geometry. In the crystal, intermolecular O—H⋯O, N—H⋯O and weak C—H⋯O 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:


The asymmetric unit consists of one CoII ion, one pyrimidine ligand, two selenocyanate anions and one methanol molecule 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:


In the complex cation, the CdII ion is chelated by two bisbenzylamine (babb) ligands in a distorted octahedral geometry. Extensive C—H⋯O 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:


The protonated imine groups are involved in intramolecular N—H⋯O hydrogen bonds to the phenolate O atomss, emphasizing the zwitterionic nature of the ligand. An O—H⋯O hydrogen bond links the complex and solvent molecules.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:


The CdII atoms are each coordinated by four N atoms from two pyridine ligands and two thiocyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thiocyanato anions within a slightly distorted octahedral coordination environment. The CdII atoms are μ-1,3-bridged via the thiocyanato anions into polymeric chains parallel to [001]. The CdII⋯CdII intrachain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest CdII⋯CdII interchain separations are 7.8272 (7) and 8.6312 (6) Å.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:


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 (8)°.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:


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:


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 interact further via O—H⋯O 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:


Each PdII atom lies on a center of inversion and is four-coordinated by two monoanionic forms of the aminoacrylaldehyde in a square-planar geometry. In the crystal, adjacent molecules are connected through C—H⋯π and C—H⋯O interactions 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:


The third Li+ cation on a general position is four-coordinated by two anion O atoms and two N atoms from acetonitrile molecules in a tetrahedral 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:


The IrIII atom adopts a distorted octahedral 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 thiazole ring systems in the complex is 77.45 (10)°.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:


A short intramolecular S⋯S contact [2.6984 (8) and 2.6977 (8) Å] 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:


In the crystal, O—H⋯Cl hydrogen bonds link the molecules 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:


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 molecule 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—H⋯O, O—H⋯N and C—H⋯O 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:


DOI: 10.1107/S1600536810038298/hb5649Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The orientations of the two six-membered chelate rings in the complex cation are in an anti chair–chair conformation with respect to each other. The Cr—N bond lengths are 2.087 (6) and 2.097 (6) Å. The Cr—Cl and Zn—Cl bond lengths are 2.3151 (16) and 2.3255 (13) Å, respectively. Weak intermolecular 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:


It crystallizes with four formula units in the tetragonal 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-antiprismatic 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 α-UPSe, which crystallizes with two formula units in the tetragonal space group P4/nmm in the PbFCl structure type.β-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:


The fifth coordination position, located on the central Cu—O axis on the outside of the cluster, is occupied by an N atom of the monodentate 1-(pyridin-2-ylmethyl)-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 (2)°.The title tetranuclear complex, [Cu DOI: 10.1107/S1600536811035252/hb6384Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Desulfurization took place readily to form an Fe4S3 cluster. The molecule consists of two similar [(μ-2-C4H3O—CH2S)Fe2(CO)6] moieties joined to a spiro-type four-coordinate μ4-S atom such that this bridging sulfur is tetrahedrally coordinated to the four Fe atoms. In each diiron subcluster core, the 2-furylmethanethiolate 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:


The coordination sphere of silver is formed by two P atoms of two triphenylphosphine ligands, one O atom of a perchlorate anion and one O atom of a methanol molecule. The crystal structure is stablized by a bifurcated intermolecular O—H⋯O hydrogen bond, involving the O—H 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:


Intermolecular O—H⋯I hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.790 (2) Å] 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:


The metal coordination units are connected by bridging imidazole-4,5-dicarboxylate and sulfate ligands, generating a heterometallic layer. The layers are stacked along the a axis via N—H⋯O, O—H⋯O, and C—H⋯O hydrogen-bonding interactions, 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:


Intermolecular N—H⋯O and O—H⋯O hydrogen bonds, as well as π–π interactions between phen ligands and between phen and spia ligands , result in a three-dimensional supramolecular 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:


Each pda2− anion acts as a μ3-bridge, linking CdII atoms to form one-dimensional slabs extending parallel to [010]. In the crystal, adjacent molecules are linked through N—H⋯N and N—H⋯O 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:


In addition, there is a Zn⋯S 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 (10):0.159 (10), 0.802 (10):0.198 (10) and 0.457 (13):0.543 (13). Weak intramolecular C—H⋯N and C—H⋯S interactions contribute to the stability of the molecular conformation. Intermolecular C—H⋯S contacts, weak C—H⋯π interactions and π–π stacking interactions [centroid–centriod distances = 3.832 (4) and 3.850 (5) Å] 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:


C—H⋯O—H interactions.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:


An intramolecular C—H⋯O hydroxyl–carboxyl 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:


The structure contains two uncoordinated water molecules. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds and π–π stacking interactions between the pyridine rings of the pydc ligands, with a centroid–centroid distance of 3.4582 (18) Å, 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:


The molecule exhibits a planar macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (Δ24) of 0.01 Å and an average Ni—N bond length of 1.960 (2) Å. 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:


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[[μ 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 Å−3Δρmin = −0.35 e Å−3ΔρPROCESS-AUTO  global, I. DOI: 10.1107/S1600536812009683/sj5205Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Ag atom exists in a distorted tetrahedral geometry. The H atom of the carboxylate is midway between two O atoms of the two carboxyl groups, thus forming a strong intramolecular hydrogen bond. In the title 1:1 silver(I) 4-carboxypyridine-3-carboxylate adduct with triphenylphosphine, [Ag(C DOI: 10.1107/S1600536810033350/bt5322Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74 (15) and 16.30 (13)°. In the crystal, there is a π–π stacking interaction involving two symmetry-related pyrazole rings, with a centroid–centroid distance of 3.664 (3) Å. In addition, there is a relatively short intermolecular contact between C atoms [C⋯C = 3.399 (6) Å] 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:


The anions self-assemble into polymeric chains via W—S—Ag bridges having a [AgS4W] repeat unit; the W—Ag—W and Ag—W—Ag angles are 161.657 (17) and 153.978 (9)°, 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 Å−3                        Δρmin = −1.06 e Å−3                        Δρ                                 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:


Each oxalate anion chelates to two FeII ions, forming chains along the a axis. The chains are further connected by O—H⋯O and C—H⋯O hydrogen bonds, stabilizing the structure. An intramolecular O—H⋯N interaction 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:


The five-coordinate Sn atom exists in a distorted trigonal–bipyramidal geometry with the molecules connected by weak C—H⋯F intermoleclar interactions, forming supramolecular 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 Å−3                        Δρmin = −0.69 e Å−3                        Δρ                                 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:


A three-dimensional supramolecular framework is generated through N—H⋯O, O—H⋯N and O—H⋯O hydrogen-bonding interactions.In the title compound, [Co(C N-heterocyclic carboxylic 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 Å−3                        Δρmin = −0.43 e Å−3                        Δρ                                 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:


The amine N—H group and pyridine N atom are syn allowing for the formation of centrosymmetric eight-membered {⋯HNCN}2 synthons via N—H⋯N hydrogen bonds. The two-molecule aggregates are sustained in the three-dimensional crystal packing via C—H⋯π and π–π interactions [centroid–centroid distance for pyridyl rings = 3.7535 (12) Å]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:


The molecular conformation is stabilized by intramolecular O—H⋯O 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:


The dihedral angle between the pyridine and the cyclopropyl rings is 95.4 (8)°.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:


The substituents at the indolizine unit are twisted  with single bonds between the central unit and the attached pyridine ring [1.459 (3) Å] and the pyridinoyl group [1.483 (3) Å]. There are no classical hydrogen bonds in the crystal structure.Methylation of [1-hydroxy-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:


In the crystal, weak C—H⋯F hydrogen bonds link the complex cations and hexafluoridophosphate anions into a three-dimensional supramolecular 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:


The Rb+ cation is nine-coordinated by O atoms from four 3,5-dinitrobenzoate anions and three neutral 3,5-dinitrobenzoic 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—H⋯O 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:


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− anions fitting between the stacks and with a Cl− ion directed into the interior of the layer. The second organic cation forms distorted hcp layers that separate the other organic cation/[CuCl4]2− slabs. N—H⋯Cl 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:


C—H⋯O hydrogen bonds link the complex molecules 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:


The hydrazone molecule is coordinated to the CuII atom in a tridentate manner in the enolic form, creating five- and six-membered chelate metallarings. The pyridine molecule completes the square-planar base of the copper coordination environment. The crystal structure displays zigzag polymeric Cu—O—Cu chains along [001]. Several weak π–π interactions between benzothiazole 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:


In the crystal, there are intermolecular C—H⋯O 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:


In the crystal, N—H⋯Cl and O—H⋯Cl hydrogen bonds link the molecules 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:


In the cation, the three rings formed by the ethylenediamine units and the CoIII metal ion are in slightly distorted twist conformations. Numerous O—H⋯O, N—H⋯O, N—H⋯I and O—H⋯I intermolecular hydrogen bonds between the cation and two anions in concert with the four water molecules dominate the crystal packing and create a supramolecular 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:


The pentamethylcyclopentadienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexamethylenetetramine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF4− anion reside on crystallographic mirror planes. The Fe—N bond length is 2.069 (2) and the Fe—Cp*(centroid) distance is 1.7452 (3) Å.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:


The dihedral angle between the mean planes of the two coordinating ligands is 83.65 (5)°. The crystal packing is consolidated by weak C—H⋯N hydrogen-bonding interactions.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:


In the crystal, extensive O—H⋯O hydrogen-bonding interactions result in a three-dimensional supramolecular 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:


The Pr(III) atom is in a pseudo-bicapped square-antiprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and six O atoms, four from two 2,6-dihydroxybenzoate (DHB) ligands and the other two from nitrate anions. π–π stacking interactions between the phen and DHB ligands [centroid–centroid distances = 3.518 (2) and 3.778 (2) Å] and the phen and phen ligands [face-to-face separation = 3.427 (6) Å] of adjacent complexes stabilize the crystal structure. Intramolecular O—H⋯O 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:


In the crystal, molecules are assembled by C—H⋯O hydrogen bonding and π–π interactions between bipy groups [centroid–centroid distances = 3.7686 (16) and 3.7002 (16) Å] 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:


The macrocyclic 24-membered ring core is planar with a mean deviation of 0.0311 (15) Å and the four-coordinate AgII cation fits into its center, at 2.0814 (19) and 2.0872 (19) Å, from the surrounding pyrrole-N atoms, in agreement with what is found in related compounds. The p-heptyloxyphenyl groups are rotated 75.51 (5) and 84.45 (8)° 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:


The complex possesses crystallographically imposed inversion symmetry, with the Mo atom residing on an inversion centre (1a Wyckoff position). The two triphenylphosphane groups are arranged in a staggered orientation. Each of the phenyl groups exhibits significantly different Mo—P—C—C torsion angles ranging from 2.6 (2) to 179.4 (1)°, most likely due to steric interactions 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:


An ethanol solvent molecule is also found in the asymmetric unit. The structure displays O—H⋯O and C—H⋯O 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:


In the hexanuclear unit, the six octahedrally coordinated NiII atoms are linked by four μ1,1,1-azide and four μ1,1-azide bridges, forming a face-sharing Ni6N8 tetracubane-like unit with four missing corners. The NiII atoms are further bridged by four μ1,2-carboxalate groups. Neighbouring hexanuclear units are connected via N—H⋯O hydrogen-bonding interactions into a three-dimensional structure. Although the H atoms of the methanol OH groups could not be located, O⋯N/O contacts between 2.65 and 2.86 Å suggest that these molecules 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:


Two symmetry-related O,O′-dithiophosphate anions are located on either side of the NiII cation, with Ni⋯S of 3.9558 (5) Å, and link to the tetraamine macrocycle ligand via N—H⋯S 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 Å−3                        Δρmin = −0.27 e Å−3                        Δρ                                 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:


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:


It forms phenolate-bridged out-of-plane dimers with Mn⋯Ophenolate distances of 2.667 (2) Å between pairs of inversion-related molecules. In the crystal, there are offset inter-complex face-to-face π–π interactions [centroid–centroid distances = 3.598 (2) Å] 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:


The 1,1′-methylenebis(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:


Intermolecular O—H⋯O 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:


The Rb cation is eight-coordinated by O atoms from five 3,5-dinitrobenzoate anions. On the other hand, each 3,5-dinitrobenzoate anion links five Rb cations with the carboxylate groups as μ3-bridging. The metal atom is firstly linked by the carboxylate 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:


The dihedral angle between the mean planes of the two coordinating ligands is 85.65 (5)°. Weak C—H⋯S 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:


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—O—C = 137.63 (11)°] by 0.247 (1) Å; the geometry is distorted towards an octahedron by a remote O atom of the methoxy subsituent [Sn⋯O = 3.019 (1) Å]The formylmethoxynitrophenoxide 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:


Additional weak N—H⋯O interactions stabilize the crystal packing. The adamantane cage consists of three fused cyclohexane rings in almost ideal chair conformations, with C—C—C angles in the range 107.9 (10)–111.3 (11)°.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:


The octahedral [Zn(H2O)6]2+ cations, solvent water molecules and anions interact via O—H⋯O 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:


The VV atom is six-coordinated by the N,N,O-tridentate Schiff base ligand, one methanolate O atom, one methanol O atom and one oxide O atom, forming a distorted octahedral 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 (10)°. In the crystal, inversion dimers linked by pairs of O—H⋯N 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:


The CoII atoms are bridged by two carboxylate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units interact with each other through two types of π–π interactions between the L ligands [shortest centroid–centroid distance = 3.646 (3) Å] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794 (3) Å]. N—H⋯O, O—H⋯N and O—H⋯O 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:


The bis(diphenylarsino)methane ligand bridges an Ru—Ru 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 methylsulfanyl-substituted benzene rings make dihedral angles of 70.02 (8), 82.85 (9) and 89.49 (8)° with each other. The dihedral angles between the two phenyl rings are 78.25 (9) and 86.59 (9)° for the two diphenylarsino groups. In the crystal, weak intermolecular C—H⋯π interactions 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:


The Sm atom is in a pseudo-bicapped square-antiprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihydroxybenzoate (DHB) ligands and the other two from a nitrate anion. π–π stacking interactions between phen and DHB ligands [centroid–centroid distance = 3.528 (4) and 3.812 (3) Å], and phen and phen ligands [face-to-face separation = 3.420 (10) Å] of adjacent complexes stabilize the crystal structure. Intramolecular O—H⋯O 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:


The 4,4′-diazenediyldibenzoate anions do not coordinate to Ag. O—H⋯O 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:


The organic cation has an inversion center at the mid-point of the ethane C—C bond. In the anion, the PbII atom is coordinated by six I atoms in a distorted octahedral 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:


Intermolecular N—H⋯O hydrogen bonding is present in the crystal structure. A short O⋯O contact of 2.816 (8) Å is observed between the nitrate anions of adjacent molecules.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:


In the crystal, these dimeric units are connected through Cu—O 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, intermolecular π–π interactions [centroid–centroid distance = 3.786 (2) Å] and C—H⋯O interactions 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:


In the crystal, weak C—H⋯S and C—H⋯N interactions 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:


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 molecules are further bridged by the other two azide groups, generating a linear chain motif parallel to [010]. Half of the Pb atoms show a Ψ-dodecahedral coordination and the other half show a Ψ-pentagonal-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:


Intermolecular N—H⋯O hydrogen bonds link the complex molecules 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:


Each 5-methylisophthalate ligand acts as a μ2-bridge, linking two CoII atoms and forming chains which are further linked by 1,4-bis(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:


The PdII ion has a trans-Cl2N2 square-planar coordination geometry defined by two N atoms from two 4-phenylpyridine ligands and two Cl− 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 (2) and 0.51 (1), respectively, for the major components.The asymmetric unit of the title complex, [PdCl II complex [PtCl2(C11H9N)2]·H2O, see: Ha 2] = 0.029                           wR(F                           2) = 0.077                           S = 1.05                           2358 reflections165 parametersH-atom parameters constrainedmax = 1.25 e Å−3                        Δρmin = −0.51 e Å−3                        Δρ                                 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:


The azotetrazolate ligand displays a bridging coordination mode, forming an infinite zigzag chain. Intermolecular O—H⋯O and O—H⋯N hydrogen bonding and offset face-to-face π–π stacking interactions [centroid–centroid distance = 3.4738 (13) Å] 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:


In the complex, there is an intramolecular N—H⋯N hydrogen bond. In the crystal, the binuclear units are connected by intermolecular N—H⋯Cl hydrogen bonds, as well as π–π stacking interactions [centroid–centroid distances = 3.526 (2) and 3.696 (2) Å], 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:


The Ru(II) atom has a typical piano-stool coordination. The Ru—P bond lengths are 2.284 (2) and 2.235 (2) Å. 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(η DOI: 10.1107/S1600536810053006/rn2075Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, N—H⋯O and O—H⋯O hydrogen bonds connect the components into a two-dimensional network parallel to (001). In addition, there are weak C—H⋯O 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:


The dimeric aggregates thus formed are arranged in rows with their terminal NH2 groups forming N—H⋯O hydrogen bonds with neighbouring aggregates to form a two-dimensional array in the ac plane with an overall T-shaped topology. Layers interdigitate along the b axis being connected by C—H⋯O, C—H⋯π and π–π [centroid–centroid distance = 3.6316 (19) Å] interactions.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:


This core has acute P—In—P and obtuse In—P—In bond angles compared with other [R               2InPR′2]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:


The crystal packing features N—H⋯O hydrogen bonds and weak C—H⋯O intermolecular interactions.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:


The Zn atom is coordinated by two chloride ions and two N atoms from two symmetry-independent organic ligands and shows a distorted tetrahedral coordination geometry. The 1,1′-diimidazole ligands are located around two sets of inversion centers and bridge ZnII ions, forming a zigzag polymeric chain. C—H⋯Cl hydrogen bonding results in the formation of a three-dimensional supramolecular 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:


The crystal used was a merohedral twin, the refined ratio of twin components being 0.820 (1):0.180 (1). The crystal structure features weak C—H⋯F interactions, 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:


A three-dimensional NaCl-type framework is generated in which the tetramethylammonium cations, which lie across mirror planes and occupy the cavities in the polymer structure, form weak C—H⋯O 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:


Two trans-N:S-bridging thiocyanates complete the N5S donor set around the Cd atom. In the crystal, adjacent CdII ions are linked by the thiocyanate 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:


In the cation, the CoII atom is octahedrally coordinated by six N atoms from three 2,2′-bi-1H-imidazole ligands [Co—N bond lengths are in the range 2.084 (5)–2.133 (6) Å]. Intermolecular N—H⋯O 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:


The crystal packing can be described as ClO4 tetrahedra and CuN4O2 octahedra alternating in a zigzag fashion along the c axis. The structure is stabilized by intermolecular N—H⋯O and C—H⋯O hydrogen bonds, as well as π–π interactions [centroid–centroid distance = 3.7179 (15) Å].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:


The distance between the centroids of the Cp rings is 3.309 (8) Å. The relative orientation of the two Cp rings is characterized by a torsion angle of −43.99 (6)° 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:


The complex displays a nano-sized porous metal–organic 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:


DOI: 10.1107/S1600536810027595/bt5296Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu atom lies on a center of inversion. N—H⋯O and N—H⋯F hydrogen bonds give rise to a one-dimensional structure. The BF4               − anion is disordered over two sites in a 0.671 (10):0.329 (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:


The CdII cation is seven-coordinated with a geometry that can be considered as distorted pentagonal bipyramidal, with the N atom of the N-heterocyclic units occupying the apical sites and the O atoms of the 4-bromobenzoate units in the equatorial plane. The middle methylene group of the 1,3-bis(4-pyridyl)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:


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–oxygen 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 octahedral 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:


The crystal structure comprises undulated cationic [Cd2(TETA)3]4+ chains (TETA is triethylenetetramine) propagating parallel to [101]. The central CdII atom is six-coordinated in a CdN6 set by three TETA ligands. The isolated [GeF6]2− units, serving as counter-anions, occupy the inter-chain spaces and simultaneously link adjacent chains into a three-dimensional network through extensive N—H⋯F hydrogen-bonding interactions. One of the ethylene 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:


The 8-hydroxy-2-methylquinolinium cation and the anion are linked to the methanol molecules by O—H⋯O, O—H⋯N and N—H⋯O 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:


The average equatorial Cu—N bond length is shorter than the average axial Cu—N bond length . An N—H⋯N hydrogen-bonding interaction between the secondary amine N atom and the adjacent thiocyanate ion leads to a polymeric chain along the a axis.In the title thiocyanate-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:


In the crystal structure, O—H⋯O and O—H⋯N hydrogen bonds link the cations, anions and water molecules 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:


N—H⋯Br 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:


The SnIV atom in the stannate anion is chelated by the pyridine-2-carboxylate group and exists in a cis-SnCl4NO octahedral geometry. The cation is disordered over two positions in a 0.564 (1):0.436 (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:


III(C15H12N2O3)(C5H5N)3]ClO4, the CoIII ion is coordinated by three pyridine molecules and one N′-(3-methoxy-2-oxidobenzylidene)benzohydrazidate Schiff base ligand in an O,N,O′-tridentate manner. The CoIII ion adopts a distorted CoN4O2 octahedral 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:


The ZnII atom shows a trigonal–bipyramidal coordination, with the pyridyl N atoms occupying the axial positions. The cation, anion and water molecules are linked by N—H⋯Cl, N—H⋯O, O—H⋯Cl and O—H⋯O 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:


The finite tetrachromate anion in the title structure consists of four vertex-sharing CrO4 tetrahedra and exhibits a typical zigzag arrangement. The crystal packing is stabilized by hydrogen bonds between these anions and hydronium cations. The two different hydronium cations are surrounded by nine O atoms of tetrachromate anions, with O⋯O distances ranging between 2.866 (8) and 3.282 (7) Å.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:


The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4′-dipyridinium dication, each located on a centre of inversion. In addition, there are two thiocyanate anions in general positions. The crystal structure consists of Fe—(NCS)2—Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thiocyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N—H⋯N and N—H⋯S 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:


The HPAA ligands are coordinated in bis-chelate, bridging and bridging tridentate modes. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds link the molecules 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:


The solvent water molecules 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:


The dihedral angle between the two bromo-substituted benzene rings is 10.1 (3)°.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:


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 molecular structure is stabilized by three intramolecular O—H⋯Cl hydrogen bonds.The Sm DOI: 10.1107/S1600536812008100/tk5061Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


These chains are further assembled into (100) layers via π–π stacking interactions between inversion-related chromenone fragments [interplanar distance = 3.376 (2) Å].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:


One of the bridging Hg—Cl 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:


The stereochemistry about each FeCl3O centre is distorted tetrahedral [Fe—Cl = 2.2176 (5)–2.2427 (5) Å and Fe—O = 1.7545 (2) Å]. The Cl atoms are involved in weak anion–cation C—H⋯Cl interactions, 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:


The average terminal and bridging Ge—S bond lengths are 2.164 (2) and 2.272 (8) Å, respectively. The dimeric inorganic anions and the organic piperazinium cations are organized into a three-dimensional network by N—H⋯S 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:


The μ5-bridging mode of the dianon and the μ2-bridging mode of the water molecule generate a polymeric three-dimensional network which is consolidated by O—H⋯O 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:


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 π–π stacking between pyridine rings [centroid–centroid separation = 3.7081 (17) Å] 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:


The mpdc anion is also located on the twofold rotation axis and bridges five ZnII cations, forming the three-dimensional polymeric complex. Weak C—H⋯π interactions 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:


In the cation, the Ni2+ ion is coordinated by six N atoms from three ethylenediamine ligands in a distorted octahedral geometry. The complex ions and water molecules are linked by weak N—H⋯N/O and O—H⋯N/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:


The coordination sphere around each copper ion has a distorted tetrahedral geometry, with ligation by two bridging bromide ions, an amine N atom and an imine N atom. The thiophene ring is disordered over two sites, with occupancies of 0.719 (3) and 0.281 (3). Weak C—H⋯π interactions 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:


The L ligand and Cl− anions bridge adjacent Cd cations, forming a polymeric chain along the b axis; the separation between adjacent Cd cations is 3.619 (1) Å. In the crystal, the polymeric chains are interlinking through N—H⋯Cl hydrogen bonds between the L ligands and Cl− 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:


The two zinc ions have different coordination environments: one is slightly distorted octahedral and the other is trigonal–pyramidal. The conformation of the gabapentin molecule is defined by the formation of two intramolecular O—H⋯O 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:


The crystal structure is stablized by weak intermolecuar C—H⋯π and N—H⋯π interactions.In the title molecule, C DOI: 10.1107/S1600536810029788/lh5094Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination sphere of the Sn(IV) ion is completed by a monochelating oxalate anion and a water molecule. The Sn(IV) atoms are thus seven-coordinated. The discrete binuclear units are further connected by hydrogen bonds, leading to a supramolecular 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:


In the crystal, the cations are linked by C—H⋯π interactions, forming chains along the a axis. Intramolecular C—H⋯N and intermolecular C—H⋯F 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:


The two unique NiII cations are N,N′,N′′,O-chelated by carboximidamidate(2−) and carboximidamidate(1−) anions, forming a distorted four-coordinate planar structure, while the other two NiII atoms are N,N′,O,O′-chelated by the same bridging ligands and two pyridine molecules, affording six-coordinated metals in an octahedral 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:


The triethylammonium cations and complex anions are linked by N—H⋯O hydrogen bonds into chains parallel to [100]. Disordered water molecules (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:


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–prismatic geometry. The YIII ions are bridged by glutarate ligands in three modes, forming a layered, polymeric structure. The resulting layers are assembled by π–π stacking interactions [centroid–centroid distances = 3.740 (3) and 3.571 (3) Å] into a three-dimensional supramolecular 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:


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 tetrahedra, linked into a three-dimensional structure by an extensive network of O—H⋯O and N—H⋯O 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:


The gold(I) atoms are 3.4873 (7) Å apart. The molecule 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:


The diphosphadiborane molecule consists of an ideal planar four-membered B2P2 ring with an additional phenyl and a –PPh2 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:


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:


The P—Ag—P angles are in the range 108.02 (6)–110.15 (6)°, which confirms the distorted tetrahedral 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:


The η6-coordination mode of the arene incorporated into the structure was generated in situ after addition of methyl trifluoromethanesulfonate to the neutral η5-arene tethered precursor complex [RuCl(PPh3)(η5:κ1-OC6H4C(NiPr2)=N-PPh2)] in dichloromethane 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:


Each CeIII ion is nine-coordinated by one 1,10-phenanthroline molecule, two O atoms from a chelating carboxylate, two O atoms derived from a μ3-carboxylate and two O atoms derived from two μ2-carboxylate ligands in a distorted CeN2O7 monocapped square-antiprismatic 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:


The dihedral angles between the pairs of benzene rings attached to each As atom are 84.63 (9) and 77.15 (8)°. In the crystal, molecules are linked by C—H⋯O interactions, forming infinite chains along the a axis. The crystal structure is further stabilized by C—H⋯π interactions.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:


The effective cone angles for the two phosphane ligands are 160 and 169°. C—H⋯Cl interactions generate infinite long chains along [01-1]. Additional C—H⋯π and π–π stacking interactions [centroid–centroid distance = 4.2499 (15) Å and ring slippage = 2.386 Å] 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:


The inter-polyhedral Sb—Cl bonds define a square-shape. In the crystal, the components are linked by N—H⋯Cl, C—H⋯Cl and C—H⋯O 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:


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 pentagonal channels built from corner-sharing CdSb4 tetrahedra. The isolated O atom, i.e., an oxide ion O2−, is located in a distorted tetrahedral 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:


Each P6O18 ligand acts as a bridge, linking two CdII atoms and forming an anionic coordination polymer [Cd(P6O18)4−]n extending along [010]. Adjacent polymeric chains are connected through N—H⋯O and C—H⋯O hydrogen bonds, generating a three-dimensional supramolecular network.Cyclohexaphosphoric acid (P DOI: 10.1107/S160053681104133X/ff2028Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The angles at the copper cation, which lies on a twofold rotation axis, are Cl—Cu—Cl = 142.84 (4)°, Cl—Cu—S = 94.80 (2) and 99.97 (2)°, and S—Cu—S = 132.46 (4)°. The planes of the two imidazolium rings make a dihedral angle of 76.92 (8)°.The molecular 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:


The SnIV atom in the anion is N,O-chelated by a pyrazine-2-carboxylate in a cis-SnNOCl4 octahedral geometry.In the reaction of pyrazine-2-carboxylic acid and stannic chloride in methanol, one equivalent of the carboxylic acid is methylated 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:


The absolute configuration at the stereogenic S-atom center was determined as S. The crystal structure is stabilized by intermolecular C—H⋯O 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:


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-antiprismatic geometry. Each CoII ion is coordinated by three O atoms from three methylacrylate anions and two N atoms of a 2,2′-bypiridine ligand in a distorted square-pyramidal geometry. In the crystal structure, π–π stacking between the pyridine rings [centroid–centroid distances = 3.682 (8) and 3.760 (8) Å] is observed and weak intermolecular C—H⋯O hydrogen bonding is also present.In the title trinuclear cobalt–terbium complex, [Co DOI: 10.1107/S1600536810031053/xu5010Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the two crystallographiclly independent morpholinium cations is half-occupied. Intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the cations, polyoxoanions and uncoordinated water molecules.In the title organic–inorganic hybrid compound, (C DOI: 10.1107/S1600536811018149/hy2428Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


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 carboxylate O atom from a neighbouring ligand in the apical position. The apical Cu—O bonds are much longer than the basal Cu—O and Cu—N bonds. The carboxylate groups of the Schiff base ligands bridge the CuII ions, forming helical chains along [100]. The crystal packing is stabilized by intermolecular O—H⋯O and N—H⋯O 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:


Each of the two independent cations exhibits a chair conformation; the anion deviates slightly from an tetrahedral configuration. The Zn—Br distances in the anion are in the range of 2.3996 (9)–2.4247 (9) Å. All of the amine H atoms are involved in bifurcated intermolecular N—H⋯Br 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:


The two pyridyl planes are inclined with dihedral angles of 59.1 (2) and 61.84 (19)° with respect to the PtCl2N2 plane. In the crystal, the complex molecules display inter- and intramolecular π–π stacking interactions, with centroid-centroid distances of 3.806 (5)–3.845 (5) Å, 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:


An iodide ligand completes the coordination sphere, with the seven-coordinate BiIII atom adopting a highly distorted monocapped octahedral 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:


DOI: 10.1107/S1600536811013274/bt5511Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The RuII atom adopts a distorted octahedral 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—H⋯Cl hydrogen bonds between the benzene solvent molecule 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:


The nickel(II) cations are connected by μ-1,3-bridging formato anions and N,N′-bridging pyrazine ligands into a three dimensional coordination network. The asymmetric unit consists of one nickel(II) cation, one water molecule and two crystallographically 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:


These ligands are located in trans positions. The –(CH2)3– moiety in the DMPU ligand is disordered over two positions in a 0.786 (11):0.214 (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:


II atom in the title compound, [Cu(NO3)2(C20H40N4)], is N,N′,N′′,N′′′-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 tetragonally distorted octahedron, 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:


The two chelating NCCN groups subtend a dihedral angle of 82.21 (9)°. The CdII ion, the S atom and the middle C atom of the propane-1,3-diol solvent molecule are located on special positions, site symmetry 2. The solvate features a pair of O—H⋯O 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:


The metal atoms are connected by the ligands to form chains running parallel to the b axis. π–π stacking interactions [centroid-to-centroid distances 3.757 (2)–3.820 (2) Å] and weak Ag⋯O interactions 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 (3):0.27 (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:


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 (3)°.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:


The four-coordinate Ag atom has a seesaw coordination geometry with a τ4 index of 0.51. The tetrafluoridoborate anion is disordered over two orientations with 0.568 (10):0.432 (10) occupancies.The reaction of 2-acetylpyridine with silver(I) tetrafluoridoborate 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:


The tridentate acetohydrazide ligand occupies three basal positions, the fourth basal position being defined by a chloride anion at a distance of 2.2116 (6) Å. The second chloride anion is in the apical position and forms a longer Cu—Cl distance of 2.4655 (7) Å. Intermolecular N—H⋯Cl 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:


Extensive O—H⋯O hydrogen-bonding interactions between the cations, anions and water molecules 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:


The HgII atoms are four-coordinated in a distorted tetrahedral geometry by two N atoms from a 2,2′-dimethyl-4,4′-bi-1,3-thiazole ligand and two Br atoms. In the crystal structure, intermolecular C—H⋯Br hydrogen bonds and π–π contacts between the thiazole rings [centroid–centroid distances = 3.670 (3) and 3.614 (2) Å] 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:


In the title compound, the [V2PO8] framework is built up from infinite pyramidal [V2O8]∞ and [VPO7]∞ chains linked together by V—O—P bridges, leading to a three-dimensional framework which delimits two types of intersecting 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(dioxovanadyl) phosphate, β-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:


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–Kasper polyhedra are typical for Li and Tb atoms. The environment of the Sn atom is a pseudo-Frank–Kasper 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 interatomic distances.The new ternary phase pentaterbium lithium tristannide, Tb DOI: 10.1107/S1600536811041328/ff2031Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation is linked to the anion by an N—H⋯O hydrogen bond.The reaction of 4-(dimethylamino)pyridine, 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: