The Cl atom, two acetate O atoms and two acetate C atoms are located on a mirror plane. The coordination of the diimidazole ligand to the ZnII ion gives an infinite one-dimensional zigzag structure along the b-axis direction with the charge balanced by the chloride and acetate ions.The title compound, [Zn(CH Cl(C14H14N4)] = 0.054wR(F2) = 0.124S = 1.001867 reflections118 parametersH-atom parameters constrainedmax = 0.55 e Å−3Δρmin = −0.50 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  global, I. DOI: Click here for additional data file.10.1107/S1600536813000524/hp2053Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The N–H groups of the ligands, the carbonyl group of the DMF molecule and uncoordinated water molecule engage in N—H⋯O and O—H⋯O interactions, generating a hydrogen-bonded ribbon that propagates along [110]. One thienyl ring is disordered over two positions in a 1:1 ratio.The metal atom of the title compound, [Zn(C DOI: 10.1107/S1600536810039504/ci5163Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77 (2) and 0.23 (2). Two K(18-crown-6)+ units are linked by inversion symmetry, forming a [bis(μ2-18-crown-6)dipottasium] system with approximately square-planar K2O2 units. Inversion symmetry also generates the Cd2I6 fragment and the polymeric system is extended along the c axis by the formation of K—I—Cd bridges.The reaction of CdCl DOI: Click here for additional data file.10.1107/S1600536813002274/sj5295Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is stabilized by weak intermolecular C—H⋯Br hydrogen bonds and extensive intermolecular π–π contacts between the pyridine and benzene rings .In the title compound, [ZnBr DOI: 10.1107/S1600536810047434/jj2062Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A NiP2N rhombus occurs within the chelating ligand.In the title complex, [NiCl DOI: 10.1107/S1600536811042760/hb6453Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits alternating organic and inorganic layers parallel to  and 3.9340 (15) Å].In the title compound, (C DOI: 10.1107/S1600536811007252/hy2408Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure of the title compound is composed of a three-dimensional anionic framework with composition ∞3[Cr2(PO4)3]3− and Li+ ions situated in the empty channels. The rigid framework built up from CrO6 octahedra and PO4 tetrahedra is the same as that found in other monoclinic Li3M2(PO4)3  phases. The three Li+ cations of Li3Cr2(PO4)3 are unequally disordered over six crystallographically different sites. The classical charge balance of the title compound can be represented as [Li+]3[Cr3+]2[P5+]3[O2−]12. Solid-state UV/Vis spectra indicate that the crystal filed splitting (Δ0) of the Cr3+ ion is around 2.22 eV.The monoclinic form of trilithium dichromium(III) tris(orthophosphate), Li DOI: 10.1107/S1600536813026433/wm2772Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecules are stabilized by C—H⋯Cl hydrogen bonds. In the crystal, intermolecular C—H⋯Cl and C—H⋯S hydrogen bonds with R               2               2(8), R               4               2(8) and R               2               2(6) ring motifs generate a polymeric network.In the centrosymmetric title compound, [Co DOI: 10.1107/S1600536811013067/si2349Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation is connected to the anion via three-center N—H⋯Cl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811025347/gk2387Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The MnII atom has an octahedral coordination environment composed of four N atoms from two different symmetry-related N-heterocyclic ligands forming the basal plane, and two O atoms from symmetry-related formate anions occupying the apical positions. The title compound forms a two-dimensional  net parallel to (100) with all the MnII atoms lying on a plane. The crystal structure is consolidated by intermolecular N—H⋯O hydrogen bonds..In the title compound, [Mn(CHO DOI: 10.1107/S1600536810044053/bx2313Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dimeric cobalt(II) complex exhibits a crystallographic center of inversion in the middle of the Co2N2 ring (average Co—N = 2.050 Å). The CoII atom shows a distorted tetrahedral coordination sphere. The exocyclic Co—N bond length to the pyridyl group shows a similar value of 2.045 (4) Å. The exocyclic methyl group has a rather long Co—C bond length of 2.019 (5) Å.The green title complex, [Co The formation of para-tolylcobalt complexes was reported by Zhu & Budzelaar 2(C12H21N2Si)2] = 0.061wR(F2) = 0.129S = 0.923551 reflections160 parametersH-atom parameters constrainedmax = 0.39 e Å−3Δρmin = −0.39 e Å−3ΔρCOLLECT  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812032321/im2393Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811001759/ng5084Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the anion, three BiIII ions adopt an octahedral coordination constructed by six I− ligands. The three BiI6 octahedra are fused together through trans face-sharing.In the title complex, [Co(C DOI: 10.1107/S1600536811033460/om2460Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The morpholine ring adopts a chair conformation.In the title complex, [ZnBr DOI: 10.1107/S1600536811002753/su2250Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [CdCl2(C10H8N2)2] exists in a distorted octahedral geometry [N—Cd—N = 148.29 (17)°]; the Cl atoms are cis with respect to each other.The Cd DOI: 10.1107/S1600536810049251/jh2233Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A crystallographic inversion centre generates a Cu2I2 diamond with a Cu–Cu separation of 3.0120 (5) Å. The complete N,N′-(1-pyridin-4-yl-ethethylidene)-hydrazine molecule is also generated by inversion symmetry, and this bridging ligand leads to [011] polymeric chains in the crystal structure.In the title coordination polymer, [Cu For the al. 2006.       2I2(C14H14N4)(C18H15P)2] = 0.032                           wR(F                           2) = 0.086                           S = 1.05                           8881 reflections272 parametersH-atom parameters constrainedmax = 2.34 e Å−3                        Δρmin = −1.81 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL  global, I. DOI: 10.1107/S1600536811036555/hb6379Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the fluorobenzene rings is 69.10 (15).In the title molecule, C DOI: 10.1107/S1600536812010744/hb6677Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010744/hb6677Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CoII ion is coordinated by a pyridine-2,6-dicarboxylate ion and a 6-carboxypyridine-2-carboxylate ligand almost perpendicular to each other [the angle between the least-squares planes is 87.38 (4)°] and is surrounded by two O atoms and two N atoms in the equatorial plane and two O atoms in axial positions, resulting in a distorted octahedral coordination geometry. There is an extensive three-dimensional network of O—H⋯O and N—H⋯O hydrogen bonds, which link the components.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810048191/si2309Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hydroxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.In the title molecule, C DOI: 10.1107/S1600536810030783/xu5011Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other Gd cation is coordinated by four 5-hydroxyisophthalate anions and one 2,2′-bipyridine ligand in a distorted N2O7 tricapped trigonal–prismatic coordination geometry. The 5-hydroxyisophthalate anions bridge the Gd cations, forming a layer structure. The layers are further connected by extensive O—H⋯O hydrogen bonding, assembling a three-dimensional supramolecular network.The asymmetric unit of the title coordination polymer, {[Gd For a s al. 2002. For com al. 2005; Sun et  al. 2005.       2(C8H4O5)3(C10H8N2)2(H2O)2]·3H2O = 0.032                           wR(F                           2) = 0.076                           S = 1.05                           8089 reflections634 parameters252 restraintsH-atom parameters constrainedmax = 1.17 e Å−3                        Δρmin = −1.33 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811035999/xu5312Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The monoclinic structure is isotypic with that of the GaIII analogue and is built of eight-membered phosphate ring anions P8O24               8− (2/m symmetry) isolated from each other and further linked by isolated AlO6 octahedra  are distributed over two columns. These columns alternate with empty octagonally-shaped channels expanding through the P8O24               8− ring anions.Single crystals of the title compound, K DOI: 10.1107/S1600536810020751/wm2355Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure features a three-dimensional framework composed of planar [BO3]3− groups and distorted ScO6 octahedra with Na atoms in the cavities. The Sc atom occupies a special position  and of the two Na atoms, one occupies a special position . Single crystals of trisodium scandium bis(orthoborate), Na DOI: 10.1107/S1600536812015061/fi2123Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, intermolecular N—H⋯Cl, N—H⋯O, O—H⋯O, O—H⋯Cl and weak C—H⋯O hydrogen bonds link the components into a two-dimensional network parallel to (001).In the title complex, [Ni(C DOI: 10.1107/S1600536810050026/lh5172Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The distance between the Mo0 atom and the cyclopentadienyl ring is 2.0616 (13) Å.The title compound, [Mo(C DOI: 10.1107/S1600536810039747/wm2404Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Co—Co bond lengths in the Co4 tetrahedron vary from 2.3844 (4) to 2.4608 (4) Å. Each Co atom is additionally η5-bonded to a cyclopentadienyl (Cp) anion.In the title compound, [Co DOI: 10.1107/S1600536813030432/pk2502Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The parallel isoqiunoline ring systems of adjacent molecules are partially overlapped, with the shorter face-to-face distance of 3.438 (19) Å indicating the existence of weak π–π stacking in the crystal structure.In the title compound, [ZnCl DOI: 10.1107/S1600536810024803/hb5517Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.In the title compound, [Bi(C DOI: 10.1107/S1600536811021039/xu5208Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021039/xu5208Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The distance between the centroids of the Cp rings is 3.277 (8) Å. The relative orientation of the two Cp rings is characterized by a torsion angle of −64.3 (3)° defined by the two centroids and two substituted atoms.In the title compound, [Fe(C DOI: 10.1107/S1600536810043278/hy2361Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII ions are connected via the tetrachloroterephthalate dianions into a chain running along the crystallographic [110] direction. Adjacent chains are linked into a two-dimensional network arranged parallel to (010) by classical N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536812005429/rk2332Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SnIV atom exists in a distorted tetrahedral geometry. Adjacent molecules are linked by weak Sn⋯Cl contacts [3.703 (1) Å], forming a linear chain motif extending along the b axis.Molecules of the title compound, [Sn(C DOI: 10.1107/S1600536810028072/bt5298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII ion is displaced by 0.586 Å in the direction of the chloride ligand from the atoms forming the square plane. In the crystal, the components are linked by intermolecular O—H⋯O hydrogen bonds, generating chains along the b axis.In the title compound, [Zn(C Cl(C9H7NO)]·CH4O = 0.034                           wR(F                           2) = 0.082                           S = 1.05                           3806 reflections244 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.47 e Å−3                        Δρmin = −0.42 e Å−3                        Δρ                                 CrysAlis PRO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S160053681103337X/lh5311Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by bifurcated N—H⋯ hydrogen bonds, generating [001] supramolecular chains.The title thiourea derivative, C DOI: 10.1107/S1600536811013638/hb5845Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is made up from two eclipsed As2O7 diarsenate groups (symmetry 1) with characteristically longer As—O bridging bonds [1.756 (4)–1.781 (4) Å] than the terminal As—O bonds [1.636 (4)–1.679 (4) Å] and four Sr2+ sites with coordination numbers ranging from seven to nine. The building units are arranged in sheets parallel to (001).The crystal structure of strontium diarsenate has been reinvestigated from single-crystal X-ray diffraction data. In contrast to the previous determinations of this structure [Weil  al. 2009. Solid S al. 2012. Mater.  DOI: 10.1107/S1600536813031619/wm2770Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Na—N distances range from 2.427 (3) to 2.507 (3) Å, intra-ligand N—Na—N angles range from 74.71 (8) to 79.31 (9)°, and adjacent inter-ligand N—Na—N angles range between 100.42 (9) and 104.97 (9)°. The structure is twinned by inversion [occupancy factors = 0.50 (9)] and the trifluoromethanesulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781 (3) and 0.219 (3)].In the title salt, [Na(C DOI: 10.1107/S1600536812028413/tk5119Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the two chelating ligand moieties is 79.75 (10)°. In the crystal, weak C—H⋯S interactions give rise to chains extending along the c axis.In the title compound, [Hg(C DOI: 10.1107/S1600536812025901/zs2213Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The cations are occupationally disordered and are located in the interlayer space. For both types of cations, distorted coordination polyhedra are observed.The title compound, potassium strontium trialuminium tetraarsenate, was prepared by solid-state reaction. The structure consists of AlO DOI: 10.1107/S1600536812014304/br2195Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014304/br2195Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


These ligands bridge the NiII complex units, forming zigzag chains along the c axis. Adjacent chains are linked by O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network.In the title compound, [Ni(CHO DOI: 10.1107/S1600536811012281/bq2289Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation and anion both lie on special positions of 2 site symmetry. In the anion, the rings make a dihedral angle of 65.3 (1)°. The acid H atom is disordered about the special position.The anions of the title salt, NH DOI: 10.1107/S1600536810048841/hg2754Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 1-[(4-methylphenyl)iminomethyl]-2-naphtholate ligands are coordinated in a trans arrangement with respect to the N and O atoms. In the symmetry-unique ligand, the dihedral angle between the naphthalene ring system and the benzene ring of the methylphenyl group is 49.03 (7)°.In the title complex, [Ni(C DOI: 10.1107/S1600536811010087/lh5218Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PdII ion, located on an inversion center, is four-coordinated by two of the Schiff base ligands in a square-planar geometry. In the crystal, the indolic NH groups are bonded to the dimethylformamide (DMF) solvent molecules via an N—H⋯O interaction. In addition, C—H⋯S interactions are observed.In the title compound, [Pd(C DOI: 10.1107/S1600536810051780/pv2368Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810027236/lh5081Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Hydrogen bonding between hydroxy H and carboxylate O atoms results in a layer structure parallel to the ab plane.In the title compound, [Cu(C DOI: 10.1107/S1600536811023038/om2435Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A paddle-wheel-like dimer is formed by two CuII ions and four benzoate anions with two 3,5-dimethylpyridine ligands at the axial position of the CuII ions. The dihedral angle between the two unique benzene rings is 84.26 (16)°. The dihedral angles between the pyridine ring and the benzene rings are 61.67 (15) and 34.27 (14)°. There is π–π stacking of inversion-related pyridine rings, with a centroid–centroid distance of 3.833 (2) Å.In the centrosymmetric binuclear title compound, [Cu For a general review of copper(II) carboxylates, see: Doedens 1976. For the2(C7H5O2)4(C7H9N)2] = 0.067wR(F2) = 0.162S = 1.064417 reflections244 parametersH-atom parameters constrainedmax = 0.46 e Å−3Δρmin = −0.40 e Å−3ΔρPROCESS-AUTO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812008604/pk2382Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, intermolecular N—H⋯Cl and N—H⋯O hydrogen bonds link the cations and anions into layers parallel to the ac plane. The crystal packing exhibits voids of 37 Å3.In the title compound, (NH DOI: 10.1107/S1600536810054310/cv5016Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the components are connected by O—H⋯N hydrogen bonds, forming a chain in the b-axis direction.The title co-crystal, C DOI: 10.1107/S1600536811029308/vm2111Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The meta-Cl atom in the aniline ring is positioned anti to the N—H bond. The two benzene rings make a dihedral angle of 40.40 (11)°. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds, which link the molecules into chains along the a axis. In the title compound, C DOI: 10.1107/S1600536811040992/bq2309Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040992/bq2309Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridine and tetrazole rings in the 5-(pyridinium-3-yl)tetrazol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70 (1)°. The zwitterions, Br anions and complex cations are connected by O—H⋯Br, O—H⋯N and N—H⋯Br hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Mg(H DOI: 10.1107/S1600536810052992/hy2389Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises one Zr, one La and four S atoms. The Zr and three S atoms are situated on mirror planes. The structure consists of LaS8 face-sharing bicapped distorted trigonal prisms and ZrS7 edge-sharing monocapped octahedra.Zirconium(IV) dilanthanum(III) pentasulfide, ZrLa DOI: 10.1107/S1600536811045193/wm2549Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules are linked by C—H⋯O and C—H⋯Br interactions.The non-H atoms of the title compound, C DOI: 10.1107/S1600536811030960/bt5592Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030960/bt5592Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The plane of the phenyl substituent is twisted by 38.1 (1)° [43.6 (1)° in the second molecule] out of the plane of the quinoxaline ring system. The five-membered ring of the substituent at the 2-position adopts an envelope conformation; the 5-CH2 atom representing the flap lies out of the plane defined by the other four atoms [deviation 0.264 (7) Å in the first molecule and 0.291 (6) Å in the second]. The dihedral angle between the five-membered ring and the 4-phenyl ring is 84.9 (1)° while that between the five-membered ring and the 5-phenyl ring is 65.6 (1)°.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811014632/bt5521Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Co2+ ion adopts an octahedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The CoII atoms are connected by two bridging azide ligands, resulting in a chain parallel to the c axis.The title layered polymer, [Co(N DOI: Click here for additional data file.10.1107/S1600536813005205/vm2189Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The title compound is isostructural with KNb2PS10, with the Nb sites occupied by statistically disordered Nb (88.5%) and Ta (11.5%) atoms. The structure is composed of anionic ∞1[M2PS10]− chains along [100] (M = Nb/Ta) and K+ ions. This chain is built up from distorted bicapped trigonal prisms [MS8] and [PS4] tetrahedra. There are no interchain bonding interactions, except for electrostatic and van der Waals forces. The S22− and S2− anionic species and the M4+–M4+ pair [M—M = 2.8939 (3) Å] are observed. The classical charge balance is represented by [K+][M4+]2[PS43−][S22−]3.The title compound  DOI: 10.1107/S1600536814000592/ru2056Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


In the crystal, complex molecules are linked via intermolecular O—H⋯O hydrogen bonds, forming chains along [100].In the title complex, [Sn(C DOI: 10.1107/S1600536811011184/lh5223Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuI ion is coordinated in a distorted tetrahedral geometry by two bridging Br atoms in addition to an N and an S atom from the 2-[disulfanyl]-4,6-dimethylpyrimidine ligand. In the crystal, π–π stacking interactions are observed with a centroid–centroid distance of 3.590 (2) Å.The title dinuclear complex, [Cu DOI: 10.1107/S1600536812016315/lh5449Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Co2+ cations are coordinated by two N-bonded selenocyanate ligands and four N atoms from four pyridazine ligands into discrete complexes. The complexes are arranged into layers parallel to (001). These layers are separated by additional non-coordinating pyridazine ligands.Reaction of cobalt(II) nitrate with potassium selenocyanate and pyridazine leads to single crystals of the title compound, [Co(NCSe) DOI: 10.1107/S1600536812027742/wm2650Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In both cases, the thiophene ring is rotated by approximately 180° for the second component. Important geometrical parameters include Au—P = 2.235 (2) and 2.237 (2) Å, Au—Cl = 2.286 (2) and 2.292 (2) Å, and P—Au—Cl = 177.39 (8) and 172.63 (7)°. Weak intermolecular C—H⋯Cl interactions are observed in the crystal structure.The title compound, [AuCl(C DOI: 10.1107/S1600536811052536/zq2145Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In L, the short distance of 3.621 (3) Å between the centroids of pyridine and benzene rings indicates the presence of a π–π interaction. The crystal packing exhibits weak intermolecular C—H⋯F contacts. The solvent molecule has been treated as disordered between two positions of equal occupancy related by an inversion center.In the title compound, [Pd(CH DOI: 10.1107/S1600536811005757/cv5046Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


III atom in the anion of the title complex, (C9H14N)[Ni(C4N2S2)2], is coordinated by four S atoms of two maleonitriledithiolate ligands, and exhibits a square-planar coordination geometry.The Ni DOI: 10.1107/S1600536811042103/tk2798Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4,4′-dibenzoate anion is centrosymmetric with the mid-point of the central ethane C—C bond located on an inversion center. The uncoordinated water molecule is located on a mirror plane. Extensive O—H⋯O hydrogen bonding is present in the crystal structure.In the title compound, [Ni(H DOI: 10.1107/S1600536810039917/xu5046Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A near-linear O—H⋯I hydrogen bond also exists between the cation and anion, resulting in a two-dimensional network. In the cation, the carboxyl group is twisted with respect to the pyridine ring at a dihedral angle of 15.34 (17)°.In the crystal structure of the title salt, C DOI: 10.1107/S1600536810021501/xu2766Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules pack in layers parallel to (10The title compound, C DOI: 10.1107/S1600536810024311/fk2020Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Comparing the structure with published data of similar compounds shows that the Ge—O bonds are covalent and the Ge—N bond is coordinated.In the title compound, [Ge(C DOI: 10.1107/S160053681200503X/hy2510Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Pairs of bridging ammoniumisophthalate ligands connect symmetry-related MgII ions, forming chains along [010]. In the crystal, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link these chains into a three-dimensional network. The centroids of pairs of symmetry-related benzene rings within a chain are separated by 3.5707 (12) Å.In the title compound, [Mg(C DOI: 10.1107/S1600536810040250/lh5144Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hydrogen-bond lengths determined from the structure refinement agree well with Raman spectroscopic data.The crystal structure of kovdorskite, ideally Mg al. 1980. Dokl. A DOI: 10.1107/S1600536812000256/wm2577Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Chains with the bridging ligands are formed along the a axis. C—H⋯F interactions stabilize the structure. C—O⋯π interactions also occur.In the title complex, {[Cu(C DOI: 10.1107/S1600536811050628/bt5715Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the 2-[(propan-2-yloxy)carbonyl]quinolin-1-ium cation is linked to the Sn complex anion by an N—H⋯O hydrogen bond.In the title salt, (C DOI: 10.1107/S1600536812019496/xu5530Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The C atom of the methoxy group is close to coplanar with its attached ring [deviation = 0.208 (2) Å]. In the crystal, weak aromatic π–π stacking [centroid–centroid separation = 3.8563 (13) Å] occurs between inversion-related pairs of benzene rings.In the title compound, C DOI: 10.1107/S1600536812026888/hb6853Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812026888/hb6853Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination number of the EuIII ion is ten. The L ligands chelate with a strong Eu—O(deprotonated phenolate) bond and a weak Eu—O(methoxy) contact, the latter can be interpreted as the apices of the bicapped square-antiprismatic EuIII polyhedron. Intramolecular N—H⋯O hydrogen bonds occur.The crystal structure of title compound, [Eu(NO DOI: 10.1107/S1600536810042194/hg2728Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The square-planar geometry of the Cu atoms in the monomer thus becomes square-based pyramidal in the dimer. The crystal studied was an inversion twin, with unequal populations of 0.353 (17) and 0.647 (17).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536811015674/pk2308Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NCS− anions are trans and four N atoms from the 1-allylimidazole ligands define the equatorial plane. The mean Mn—N(Aim) and Mn—N(NCS) distances are 2.105 (2) and 2.098 (2) Å, respectively. Weak C—H⋯N interactions contribute to the crystal packing stability.The structure of the title compound, [Ni(NCS) DOI: 10.1107/S1600536812001584/hg5160Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001584/hg5160Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The polymer propagates as a chain along the a axis. There are two independent formula units in the asymmetric unit; the furyl ring of one of the anions is disordered over two positions in a 0.630 (8):0.370 (8) ratio. The crystal studied was a non-merohedral twin with a minor twin domain of 37.3 (1)%.In the title carboxylate-bridged polymer, [Sn(C For a related tribenzyltin cinnamate, see: Lo & Ng 2011.       7H7)3(C7H5O3)] = 0.033                           wR(F                           2) = 0.106                           S = 1.07                           11649 reflections603 parameters56 restraintsH-atom parameters constrainedmax = 0.80 e Å−3                        Δρmin = −0.58 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811023919/xu5233Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dmphen ligand is nearly planar (r.m.s. deviation = 0.0225 Å). The dihedral angle between the normal to the plane defined by the HgII atom and the two Cl atoms and the normal to the plane of the dmphen ring is 81.8 (1)°.The title compound, [HgCl DOI: Click here for additional data file.10.1107/S1600536813001086/br2220Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The overall coordination sphere of the Hg+ atom is a considerably distorted octahedron. The crystal specimen under investigation was twinned by non-merohedry with a refined twin domain fraction of 0.853 (14):0.147 (14).The crystal structure of mercurous iodide, Hgurst 1926. J. Am.  DOI: 10.1107/S1600536811056339/wm2566Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The range for the six bond angles about the Cu2+ cation is 81.49 (11)–145.95 (9)°. The chelate ring including the CuII atom is approximately planar, with a maximum deviation of 0.039 (4) Å for one of the C atoms; this plane forms a dihedral angle of 46.69 (9)° with the CuCl2 plane.In the title complex, [CuCl DOI: 10.1107/S160053681104390X/zs2154Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The SnIV atoms are chelated by one of the two carboxylate ions; the other carboxylate ion bridges two metal atoms. The geometry of the six-coordinate SnIV atom is a distorted trans-C2SnO4 octahedron [C—Sn—C = 155.32 (8)°].The dinuclear title complex, [Sn DOI: 10.1107/S1600536811015716/bt5526Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The four N atoms comprise a square and the one O atom the apex of a square pyramid. The two chelating N2C2 groups are oriented at 71.1 (2)°. In the crystal, the components are connected by intermolecular O—H⋯O hydrogen bonding. The presence of pseudosymmetry in the structure suggests the higher symmetry space group C2/c, but attempts to refine the structure in this space group resulted in an unsatisfactory model.In the title compound, [Cu(SO DOI: 10.1107/S1600536811031175/bt5595Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hydroxylaminate monoanions are bidentate chelating ligands. The Cu2+ cations form stacks along [010], with intermolecular Cu⋯N contacts of 3.146 (2) and 3.653 (2) Å.In the centrosymmetric title compound, [Cu(C DOI: 10.1107/S1600536814004978/pj2009Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004978/pj2009Isup3.molSupporting information file. DOI: 989916CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The dianion exhibits a μ10-bridging mode. Each Na atom lies in a NaO6 octahedron defined by six O atoms from five dianions. Adjacent NaO6 octahedra share a common O—O edge, generating a bioctahedron; adjacent bioctahedra are O—O edge-connected to one another, building up a chain along [001]. The chains are connected by adjacent H2BTC2− anions into a three-dimensional framework. The structure is further stabilized by O—H⋯O hydrogen bonds.The asymmetric unit of the title compound, [Na DOI: 10.1107/S1600536810040857/ng5044Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII atom adopts a near-regular CdO6 octahedral coordination geometry. The crystal structure can be described as an alternation of cationic and anionic layers along [010], and numerous O—H⋯O and N—H⋯O hydrogen bonds are observed. No thermal anomalies corresponding to possible phase transitions were observed in DSC  measurements and the 93 K structure is almost the same as the room-temperature structure.The title double molecular salt, (C DOI: 10.1107/S1600536812020089/hb6712Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the carboxylate groups act as bridging ligands, forming a two-dimensional polymer parallel to (001). The aqua ligand, which lies on a twofold rotation axis, forms intermolecular O—H⋯O hydrogen bonds within these layers. In the title compound, [K DOI: 10.1107/S1600536812008963/lh5422Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is governed by an extensive three-dimensional network of intermolecular O—H⋯Cl, C—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonds, two of them bifurcated.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810026073/hb5541Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The framework possesses very large channels wherein the organic cations reside. A network of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds consolidates the crystal packing.The title compound, 2C DOI: 10.1107/S1600536810038225/bv2159Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Conventional O—H⋯O hydrogen bonds link the complex molecules, forming layers parallel to the ab plane.In the monomeric title complex, [Cu(C DOI: 10.1107/S160053681100064X/bt5450Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each GdIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate chelating carboxylate group and four bridging carboxylate groups in a distorted GdN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [Gd DOI: 10.1107/S1600536811036130/wm2524Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the three components are assembled into a tape structure along the a axis by O—H⋯O and C—H⋯O hydrogen bonds. Between the tapes, a π–π interaction with a centroid–centroid distance of 3.569 (3) Å and a weak C—H⋯F hydrogen bond are observed.In the title compound, [Mn(C DOI: 10.1107/S1600536811049968/is2782Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex, the MnII ion is six-coordinated in a considerably distorted octahedral environment defined by three N atoms of the tridentate 2,3,5,6-tetra-2-pyridylpyrazine (tppz) ligand, one I− anion and two O atoms of two water ligands. The dihedral angles between the pyridyl rings [maximum deviation = 0.034 (6) Å] and their carrier pyrazine ring [maximum deviation = 0.020 (6) Å] are 26.5 (2) and 27.0 (2)° for the coordinated pyridyl rings, and 51.3 (3) and 43.2 (2)° for the uncoordinated pyridyl rings. Intermolecular O—H⋯O, O—H⋯N and O—H⋯I hydrogen bonds stabilize the crystal structure.The asymmetric unit of the title compound, [MnI(C II complexes with tppz, see: Callejo et al. (H2O)2]I·H2O = 0.040                           wR(F                           2) = 0.115                           S = 1.23                           5463 reflections325 parameters1 restraintH-atom parameters constrainedmax = 1.06 e Å−3                        Δρmin = −1.41 e Å−3                        ΔρAbsolute structure: Flack 1983; 2033 FrFlack parameter: −0.01 (4)                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811035434/zq2121Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The aromatic rings in the two ligands are almost vertical, with a dihedral angle of 85.3°. In the crystal, cations and anions are linked by weak C(N)—H⋯O hydrogen bonding.In the unsymmetrical title complex, [Ni(C DOI: 10.1107/S1600536812021058/kp2412Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The acesulfamate ligand is N-bound to Pd [Pd—N = 2.127 (2) Å] with a dihedral angle of 76.35 (6)° relative to the square plane. Relatively long phenyl–acesulfamate C—H⋯O and phenyl–fluorine C—H⋯F interactions consolidate the crystal packing.The title acesulfamate complex, [Pd(C DOI: 10.1107/S1600536811002911/gw2097Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three anions are disordered over two sites through a rotation along one of the F—P—F axes. The relative occupancies of the two sites for the F atoms are 0.643 (16):0.357 (16), 0.677 (10):0.323 (10) and 0.723 (13):0.277 (13). The crystal used was a racemic twin, with approximately equal twin components.In the title compound, [Li(CH DOI: 10.1107/S1600536811027528/fj2439Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811042061/ng5233Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The FeIII atom is displaced by 0.40 (1) Å towards the trifluoromethanesulfonate anion from the 24-atom mean plane of the porphyrin. The average Fe—Np distance is 2.044 (2) Å and the Fe—O distance is 2.001 (2) Å.The title compound, [Fe(CF DOI: 10.1107/S1600536811001395/bv2171Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supramolecular structure parallel to (001) is formed through O—H⋯O hydrogen-bond interactions between the coordinated water molecules and the O atoms of nearby carboxylate groups.In the title compound, [Ni(C DOI: 10.1107/S1600536811016400/hb5864Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811016400/hb5864Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The O atoms of one of the nitro groups are disordered over two sets of sites, with refined occupancies of 0.55 (4) and 0.45 (4). The closest intermolecular interaction is a weak C—H⋯O hydrogen bond.In the title mononuclear complex, [Sn(CH DOI: 10.1107/S1600536811022240/lh5258Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked into a ladders by four weak C—H⋯π interactions.In the title molecule, C DOI: 10.1107/S160053681005083X/lh5183Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S160053681100849X/jh2269Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The DMPA ligands coordinate in bis-chelate, bridging and bridging tridentate modes. An intramolecular C—H⋯O hydrogen bond occurs. Intermolecular C—H⋯O interactions are also present in the crystal. In the centrosymmetric dinuclear title complex, [Sm DOI: 10.1107/S1600536810037153/fk2022Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The axial positions are occupied by a carboxylate O atom from the benzoate ligand and an N atom from the 1,10-phenanthroline ligand [N—Zn—O = 146.90 (7)°]. The water molecule forms an intramolecular O—H⋯O hydrogen bond; an intermolecular O—H⋯O hydrogen bond gives rise to a dimer.The Zn atom in the title compound, [Zn(C DOI: 10.1107/S1600536810049639/ng5072Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, there is a weak intermolecular C—H⋯O hydrogen bond as well as short intermolecular Br⋯Br contacts [3.3352 (12) Å].In the title compound, C DOI: 10.1107/S1600536811016047/zs2109Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phenyl ring of one of the six benzyl units was refined as equally disordered over two sets of sites.In the title tribenzylchloridotin–triphenylphosphine adduct, [Sn(C DOI: 10.1107/S160053681101957X/zs2112Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds, which link the molecules into chains running along the c axis.In the title compound, C DOI: 10.1107/S1600536811044904/bt5690Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044904/bt5690Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII cation, which is located on a center of inversion, is coordinated by two N-bonded and two S-bonded thiocyanate anions and by two N-bonded 2-chloropyrazine ligands within a slightly distorted octahedron. The CdII cations are linked into chains along the a axis by bridging thiocyanate anions.Reaction of cadmium thiocyanate with 2-chloropyrazine leads to the polymeric title compound, [Cd(NCS) DOI: Click here for additional data file.10.1107/S1600536813006338/bt6896Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the two planar imidazolium rings in the cation is 74.4 (4)°. The crystal packing is stabilized by weak intermolecular C—H⋯Br hydrogen bonds between the cation and the tetrahedral anion, building up a three-dimensionnal network.The title compound, (C DOI: 10.1107/S1600536810031211/dn2593Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each TbIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate carboxylate group and four bridging carboxylate groups in a distorted TbN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [Tb DOI: 10.1107/S1600536811032041/hb6349Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds stabilize the crystal structure.In the title compound, [Zn(NO DOI: 10.1107/S1600536810030485/hy2332Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The chelate rings are nearly mutually perpendicular [the interplanar angles range from 85.48 (17) to 89.17 (19)°]. The two 2-(2-pyridyl)phenyl ligands are approximately planar, with the plane of the phenyl ring being inclined to that of the pyridine ring by 2.3 (3) and 5.1 (3)° in the two ligands. The interplanar angle between the phenyl ring in 3-benzoyl-camphor and the IrO2C3 chelate ring is 35.5 (2)°.The title compound, [Ir(C DOI: 10.1107/S1600536811039262/su2315Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak C—H⋯O interactions and a short Br⋯Br contact [3.4597 (12) Å] are observed.In the title mononuclear dioxidovanadium(V) complex, [V(C O2] = 0.044                           wR(F                           2) = 0.096                           S = 1.02                           3204 reflections190 parametersH-atom parameters constrainedmax = 0.61 e Å−3                        Δρmin = −0.62 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811035240/is2767Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The TiIV atom displays a distorted tetrahedral geometry, with Ti—O bond lengths ranging from 1.805 (3) to 1.830 (3) Å and O—Ti—O ligand bite angles of 100.16 (12) and 101.36 (12)°. The short Ti—N bond distances, ranging from 1.877 (4) to 1.905 (4) Å, indicate strong bonding between the TiIV atom and the dimethylamide ligands.In the title four-coordinate complex, [Ti(C DOI: 10.1107/S1600536812002929/yk2040Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The distorted pentagonal–bipyramidal coordination about each metal atom is completed by the N atoms of bridging 1,2-bis(4-pyridyl)ethene ligands, which link these one-dimensional chains into a two-dimensional net extending along the (101) plane.In the title coordination polymer, [Cd(C II, dipyridyl ligands and dicarboxylate ligands, see: Tao et al. (C12H10N2)] = 0.033                           wR(F                           2) = 0.083                           S = 1.09                           4256 reflections263 parametersH-atom parameters constrainedmax = 1.16 e Å−3                        Δρmin = −0.85 e Å−3                        Δρ                                 CrystalClear  I, global. DOI: 10.1107/S1600536811043467/bq2313Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Pd—P and Pd—Cl bond lengths are 2.3550 (7) and 2.2906 (7) Å, respectively. Some weak interactions are observed between the aromatic rings of adjacent molecules, with an interplanar distance between two π-stacked rings of 3.505 (3) Å. Intra- and intermolecular C—H⋯Cl hydrogen bonds also occur.The title compound,  DOI: 10.1107/S1600536810042595/pk2275Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked via O—H⋯O hydrogen bonds into a two-dimensional network parallel to (10In the title complex, [Ni(C DOI: 10.1107/S1600536811041134/lh5343Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811033800/lh5314Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The MnII atoms are each octahedrally surrounded by four N atoms from two 1,10-phenanthroline (phen) ligands, one O atom from one carbonyl group of the bridging sebacate ligand and one O atom of a water molecule. The crystal structure is stabilized by intermolecular O—H⋯O hydrogen bonds.In the title complex, [Mn DOI: 10.1107/S1600536810051615/bx2333Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the CuII atom is distorted square-planar. The dihedral angle between the two phenyl rings is 76.0 (3) °. The crystal packing is stabilized by intermolecular C—H⋯π interactions.The complete molecule of the title complex, [Cu(C DOI: 10.1107/S1600536811028844/tk2765Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two CoII cations of the binuclear complex are related by an inversion centre and are bridged by two symmetry-related azide ligands in both μ1,1 and μ1,3 modes. The μ1,3 bridging mode gives rise to an infinite one-dimensional chain along the a axis, whereas the μ1,1 bridging mode is responsible for the formation of the binuclear CoII complex.In the crystal structure of the binuclear title complex, [Co(N DOI: 10.1107/S1600536812006435/vn2030Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The presence of the electronegative fluoro substituent in the meta position of the aniline group does not alter the crystal packing compared to the other two derivatives. The molecules are connected into centrosymmetric dimers via N—H⋯O hydrogen bonds. In addition, C—H⋯O and C—H⋯N contacts stabilize the crystal packing.The title ferrocene derivative, [Fe(C al. 2012. Acta Cr al. 2012. Acta Cr DOI: 10.1107/S1600536812003510/bt5792Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The complex has the shape of a saddle. The Ni atom is tetracoordinated by the four N atoms of the macrocycle, forming a slightly tetrahedrally distorted square-planar geometry. The metal is displaced by 0.0101 (8) Å from the N4 mean plane. The aromatic rings of the 2,4-dichlorobenzoyl groups form dihedral angles of 87.1 (2) and 82.1 (2)° with the N4 mean planeIn the title complex, [Ni(C DOI: 10.1107/S1600536812024671/rz2759Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812024671/rz2759Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812018831/aa2053Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SnIV atom, located on a twofold rotation axis, is in a skew trapezoidal–bipyramidal geometry, with the basal plane defined by two S,N-chelating 3-methylsulfanyl-1,2,4-thiadiazole-5-thiolate ligands. The apical positions are occupied by the C atoms of two 4-fluorobenzyl groups.The mononuclear title molecule, [Sn(C DOI: 10.1107/S1600536811046654/xu5378Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central NiII ion is located on a crystallographic inversion centre and is bound to the four S atoms of the two [Ni(C10H22N2S2)] units to form a linear sulfur-bridged trimetallic moiety. The dihedral angle between the central NiS4 plane and the terminal NiN2S2 plane is 145.71 (5)°. In the [Ni(C10H22N2S2)] unit, the two methyl groups on the chelating N atoms are cis to each other, and the two six-membered N,S-chelate rings adopt a chair conformation. The Ni—S bond lengths and the S—Ni—S bite angles in the central NiS4 group are similar to those in the [Ni(C10H22N2S2)] unit.In the title compound, [Ni DOI: 10.1107/S1600536812006034/fj2508Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The solvent molecules are linked by hydrogen bonds.The title dinuclear centrosymmetric complex, [Hg DOI: 10.1107/S160053681102040X/kp2329Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the PdII atoms are square-planarly coordinated to two Br atoms and two neutral (C6H10N2) ligands. The PdII atom is located on an inversion centre.The title compound,  II atom square-planarly coordinated to two bromide ligands in trans-conformation as well as two equivalent organic ligands 2] = 0.044                           wR(F                           2) = 0.167                           S = 1.63                           2582 reflections88 parametersH-atom parameters constrainedmax = 1.84 e Å−3                        Δρmin = −1.02 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811030480/zk2019Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A supramolecular chain aligned along [101] mediated by charge-assisted O/N—H⋯Cl− hydrogen bonds features in the crystal packing. Chains are connected into a three-dimensional architecture by C—H⋯O(hydroxy) interactions.In the title salt, C DOI: 10.1107/S1600536814004565/hg5387Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004565/hg5387Isup3.cmlSupporting information file. DOI: 988939CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The resulting cationic complex and the 3,5-dimethylbenzoate anion are interconnected by N—H⋯O hydrogen bonds.In the title compound, [Pd(C DOI: 10.1107/S1600536810028369/bt5293Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The salt is characterized as a mixed-valent FeII–FeIII compound, in which an FeII atom is coordinated by three phen ligands, forming a six-coordinated cationic entity and the anionic part is formed by two FeIII atoms in tetrahedral coordination environments constructed by three chloride ions and one bridging oxide ligand. Intramolecular C—H⋯N hydrogen bonds are observed.In the title salt, [Fe(C DOI: 10.1107/S1600536811031783/bg2417Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812013049/mw2060Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the benzene ring and the naphthylene ring system is 6.4 (3)°. The deviation of the VV ion from the plane defined by the three donor atoms of the tridentate ligand and the methoxy O atom towards the oxido O atom is 0.323 (2) Å. In the crystal, pairs of intermolecular O—H⋯N hydrogen bonds form centrosymmetric dimers.In the title complex, [V(C DOI: 10.1107/S1600536811032703/lh5304Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The calculated τ parameter of 0.42 indicates that the coordination geometry is approximately square-pyramidal. Hydrogen bonds involving centrosymmetric N—H⋯Cl interactions form dimeric structures. The molecules are stacked along the a and b axes.In the mononuclear zinc title complex, [ZnCl DOI: 10.1107/S1600536811004314/zj2001Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645 (8) and 0.1355 (8)]. The anions and cations are linked by N—H⋯O hydrogen bonds and weak N—H⋯O intermolecular interactions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hydroxybenzoate , the nitrate and the tetrahydrogen pentaborate salts.The asymmetric unit of the title salt C al. 2012. Acta Cr DOI: 10.1107/S1600536812030115/jj2134Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812030115/jj2134Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two half-cations are completed by crystallographic inversion symmetry. The FeIII atoms adopt fairly regular FeCl3O tetrahedral geometries, although the bridging Fe—O—Fe bond angles differ significantly in the two anions, which both adopt an eclipsed conformation. In the crystal, the components are linked by C—H⋯Cl and C—H⋯O interactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812019964/hb6765Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, the Sn atom exhibits an octahedral geometry with the [N2S] anionic tridentate thiosemicarbazone ligand having chloride trans to the central N and the two phenyl groups trans to each other. The Sn—Cl distance is 2.5929 (6), Sn—S is 2.4896 (6) and Sn—N to the central N is 2.3220 (16) Å. The MeOH molecules link the Sn complexes into one-dimensional chains via N—H⋯O and O—H⋯Cl hydrogen bonds.The title compound, [Sn(C DOI: 10.1107/S1600536811037627/zk2029Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclopentadienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclopentadienyl ring and two P atoms. Both Li(I) atoms adopt a distorted trigonal coordination. The structure was determined from a twinned crystal, but only the data from the main twin component was used. The fraction of components in the crystal was 0.555:0.445 and the twin matrix corresponds to twofold rotation about the c axis (The title compound, [Li DOI: 10.1107/S1600536810039759/bt5361Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal atoms each show a distorted square-pyramidal coordination geometry. Intramolecular O—H⋯O hydrogen bonds occur. In the crystal, O—H⋯O hydrogen bonds join the components into a chain extending along the a axis.In the title compound, [Cu DOI: 10.1107/S1600536811041481/gk2407Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C atoms in Cp and Cps are in an eclipsed conformation. The AuI atom is coordinated by a P atom from the diphenylphosphanyl group and a Cl atom in an almost linear arrangement [P—Au—Cl = 178.15–(7)°]. Two hexafluoridophosphate anions are each located on a twofold rotation axis. In the crystal, the complex cations and hexafluoridophosphate anions are linked via intermolecular C—H⋯F hydrogen bonds.In the cobaltocenium group of the title compound, [AuCo(C DOI: 10.1107/S1600536811018769/hy2423Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The SrO8 polyhedra are linked into inorganic chains by sharing three coplanar O atoms. These inorganic chains are extended along the b axis to form layers in the ab plane by O—C—O linking. Parallel layers are connected by terephthalic groups, forming a three-dimensional framework. O—H⋯O hydrogen-bonding interactions are observed.In the title compound, [Sr(C DOI: 10.1107/S1600536810054486/bx2340Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.In the dinuclear title complex, [Fe DOI: 10.1107/S1600536810041966/cv2763Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The halogen atoms are all disordered, the bromine components being in 0.9035 (17):0.0965 (17), 0.6581 (18):0.3419 (18), 0.5019 (19):0.4981 (19) and 0.6847 (19):0.3153 (18) ratios. The aromatic rings of the cation are twisted by 25.0 (1)°.The title salt, (C DOI: 10.1107/S1600536811000080/xu5137Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atoms are connected by the benzene-1,3-dicarboxylate anions and the nitrogen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent ZnII cations, two BDC anions and two water molecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.In the crystal structure of the title compound, [Zn DOI: 10.1107/S1600536810051433/nc2208Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The rhodium complexes link each other through weak intermolecular contacts between the acetone methyl groups and the carbonyl O atom. Interactions between the acetone solvent molecule and the Cl—Rh unit results in a reduced P—Rh—Cl angle of 86.675 (15)°.The title compound,  DOI: 10.1107/S1600536810039814/si2294Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The zinc cation is coordinated by four N atoms of two terminal N-bonded thiocyanate anions and of two symmetry-related 3-methylpyridine co-ligands, defining a slightly distorted tetrahedral coordination polyhedron.The asymmetric unit of the title compound, [Zn(NCS) DOI: 10.1107/S1600536811024561/wm2500Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L ligand, which also lies across an inversion centre, bridges two CdII ions, forming layers parallel to (010).In the title coordination polymer, [CdBr DOI: 10.1107/S1600536811027759/hy2448Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the constituent units are linked into a two-dimensional network parallel to the ab plane by N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536811035537/ci5198Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035537/ci5198Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This compound is stable in the air for several hours, but rapidly decomposes at room temperature in solution. The cobalt(I) atom has s trigonal–bipyramidal coordination enviroment in which the cyano group and one of the PMe3 groups are in the axial positions.The title compound, [Co(CN)(C DOI: 10.1107/S160053681101083X/om2401Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiophene rings form different dihedral angles [40.15 (9) and 15.43 (10)°] with the pyrazine ring. A strong π–π stacking interaction occurs between adjacent pyrazinephenanthroline units with an interplanar distance of 3.4352 (16) Å.The molecule of the title compound, C DOI: 10.1107/S160053681201522X/aa2049Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The orthorhombic structure is isotypic with α-Sr2P2O7 and is the second polymorph obtained for this composition. The structure is built from two different BaO9 polyhedra (both with m symmetry), with Ba—O distances in the ranges 2.7585 (10)–3.0850 (6) and 2.5794 (13)–2.9313 (4) Å. These polyhedra are further linked by sharing corners along [010] and either edges or triangular faces perpendicularly to [010] to form the three-dimensional framework. This polyhedral linkage delimits large channels parallel to [010] where the P2O7 diphosphate anions are located. These groups (symmetry m) are characterized by a P—O—P angle of 131.52 (9)° and an eclipsed conformation. They are connected to the BaO9 polyhedra through edges and corners.Single crystals of α-Ba DOI: 10.1107/S1600536810043539/wm2413Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII ions are linked by μ2-OH-bdc  and bbie ligands , forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31. In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536811039377/fj2452Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The nuclei are 3.122 (2) Å apart. The molecule exhibits a twofold rotation axis.The title compound, [Au DOI: 10.1107/S1600536811028856/bg2412Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by C—H⋯N and C—H⋯S hydrogen bonds.In the title compound, [HgCl DOI: 10.1107/S1600536810028138/wm2376Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The product contains an unusual six-membered thiolate–carboxylate chelate ring. This slightly distorted octahedral complex exhibits cis angles ranging from 77.55 (11) to 97.30 (8)° due to the presence of the thiolate–carboxylate chelate ring and the constrained bipyridine group. The crystal packing appears to be controlled by a combination of π-stacking [centroid–centroid distance = 3.611 (2) Å] and C—H⋯O interactions.The title complex, [Pt(CH DOI: 10.1107/S1600536811013626/tk2735Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the anions and cations are linked by N—H⋯O and O—H⋯O hydrogen bonds to form infinite two-dimensional networks parallel with the a unit-cell face. The conformation adopted by the cation in the crystal is very similar to that adopted by the same cation in the structures of the nitrate and tetrahydrogen pentaborate salts.The asymmetric unit of the title salt, C DOI: 10.1107/S1600536812030103/jj2133Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812030103/jj2133Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The surface area within the N4-coordinating core (8.358 Å2) is significantly smaller than that (8.503 Å2) of the corresponding free-base porphyrin. Two intramolecular N—H⋯N hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato–CuII occurred in the recrystallization process.The corrphycene molecule of the title compound, [Cu(C DOI: 10.1107/S1600536811052214/is5019Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811052214/is5019Isup4.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is coordinated by three N atoms  and one O atom [Ni—O = 1.859 (2) Å], resulting in a pseudo-square-planar coordination environment.The title compound, [Ni(C DOI: 10.1107/S1600536812026827/im2378Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligand adopts a bidentate bridging coordination mode through one pyridyl N atom and one pyrimidine N atom. In the crystal structure, π–π interactions are present between adjacent pyrimidine rings, with a centroid-to-centroid distance of 3.875 (7) Å.In the centrosymmetric dinuclear title complex, [Ag DOI: 10.1107/S1600536810043631/hy2366Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the central benzene ring and each of the two symmetry-related outer benzene rings is 5.1 (2)°. The crystal structure is stabilized by intermolecular π–π interactions with centroid–centroid distances in the range 3.466 (2)–3.6431 (16) Å.In the title complex, [Cu(C DOI: 10.1107/S1600536810042789/lh5150Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811011974/gk2354Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atoms are connected [Cu—Cu = 2.6329 (16) Å] and bridged by four acetate ligands. The distorted octahedral coordination geometry is completed by a terminal pyridine N atom. The amine H atom forms an intramolecular N—H⋯O hydrogen bond.The complete dinuclear molecule of the title complex, [Cu DOI: 10.1107/S1600536811044333/hg5122Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ni2+ ion is located on an inversion center and is coordinated by four S atoms from two mnt2− ligands, exhibiting a square-planar coordination geometry. The cation adopts a conformation where both the pyrazine ring and the benzene ring are twisted with respect to the C—C—N reference plane by 16.5 (2) and 69.8 (1)°, respectively.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536811022550/im2295Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CrIII atom is in a slightly distorted octahedral environment with four N atoms of the macrocyclic ligand and two N-coordinated NCS− anions in cis positions. The average Cr—N(cyclam) and Cr—NCS bond lengths are 2.085 (5) and 1.996 (15) Å, respectively. In the crystal, the uncoordinating SCN− anion is hydrogen bonded through N—H⋯S and N—H⋯N interactions to neighbouring complex cations.The crystal structure of [Cr(NCS) DOI: 10.1107/S1600536813015456/lr2107Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the three methoxy group is disordered over two sets of sites with an occupancy ratio of 0.768 (5):0.232 (5). The crystal packing can be described by alternating zigzag layers of organic ligands and CoN3O3 octahedra along the c axis. There are no classical hydrogen bonds in the structure, but C—H⋯π interactions occur.In the title compound, [Co(C DOI: 10.1107/S1600536812023033/bq2360Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The fundamental building units of the title structure are isolated PO4 tetrahedra, AlO6 octahedra and P2O7 groups, which are further interlocked by corner-sharing O atoms, forming a three-dimensional framework structure. The Na+ atoms are located within the cavities of the framework, showing coordination numbers of 4, 6 and 7.The asymmetric unit of title compound contains three Na DOI: 10.1107/S1600536811041729/wm2530Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Ti atom is bonded to a η5-pentamethylcyclopentadienyl ring, two (pentafluorophenyl)methanolate anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetrahedron.The dinuclear title complex, [Ti DOI: 10.1107/S1600536811027814/lr2018Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027814/lr2018Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformation of oxymatrine is similar to that of matrine with one ring having a half-chair conformation, while the others have chair conformations. Chiral chains of cations along the c axis are formed by O—H⋯O hydrogen bonds.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812000281/mw2043Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08 (6)°.In the crystal structure of the title coordination compound, [Ag(NO DOI: 10.1107/S1600536812006368/vn2026Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the structure of the title compound, both the [Al(H2O)6]3+ cation and the Anderson-type [Cr(OH)6Mo6O18]3− anion lie on centres of inversion. The anion is composed of seven edge-sharing octahedra, six of which are MoO6 octahedra that are arranged hexagonally around the central Cr(OH)6 octahedron. The anions are linked to each other by O—H⋯O hydrogen bonds into infinite chains along [100]. These chains are further connected with the [Al(H2O)6]3+ cations through O—H⋯O hydrogen bonds into sheets parallel to (01The title compound, [Al(H DOI: 10.1107/S1600536810053936/wm2434Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the carboxylate ligands bridges the Eu cations, forming a one-dimensional coordination polymer along the b axis. The Eu—O bond distances lie within the range 2.362 (4)–2.461 (4) Å. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the polymers into a three-dimensional network.In the title structure, {Na[Eu(C DOI: 10.1107/S160053681003151X/tk2695Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The TiIV atom is bonded to a η5-pentamethylcyclopentadienyl ring, two pentafluorophenolate anions and to the bridging O atom. The environment around the TiIV atom can be considered as a distorted tetrahedron. The cyclopentadienyl ring is disordered over two sets of sites [site occupancy = 0.824 (8) for the major component].The dinuclear title complex, [Ti DOI: 10.1107/S1600536811029357/bx2364Isup2.cdx            Supplementary material file. DOI: 10.1107/S1600536811029357/bx2364Isup3.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The DMPA ligands are coordinated to the ErIII ion in bis-chelate, bridging and bridging tridentate modes. Relatively weak intramolecular C—H⋯O interactions reinforce the stability of the molecular structure. Intermolecular C—H⋯O interactions are also observed.In the dimeric centrosymmetric title complex, [Er DOI: 10.1107/S1600536810040298/pv2331Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pendant methyl group of the ligand is statistically disordered over two sites. The Zn2+ cation is coordinated by the N,N′,N′′-tridentate Schiff base ligand, and by two thiocyanate N atoms, forming a distorted ZnN5 trigonal–bipyramidal geometry.The complete molecule of the title mononuclear zinc(II) complex, [Zn(NCS) DOI: 10.1107/S1600536811043984/hb6391Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Pt—P bond lengths are 2.2490 (19) and 2.253 (2) Å, and the Pt—Cl bond lengths are 2.344 (2) and 2.3475 (18) Å. Some weak C—H⋯Cl and C—H⋯O interactions involving the solvate molecule were observed.The title compound, [PtCl For a review on related compounds, see: Spessard & Miessler 1996. For the2(C20H20P)2]·C4H8O2                         = 0.058                           wR(F                           2) = 0.144                           S = 1.01                           10080 reflections484 parameters6 restraintsH-atom parameters constrainedmax = 1.53 e Å−3                        Δρmin = −1.87 e Å−3                        Δρ                                 APEX2  global, I. DOI: 10.1107/S1600536811035628/rk2293Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate groups bridge the PbII cations, forming a three-dimensional polymeric structure. The carboxylate group is twisted away from the attached pyridine ring by 11.4 (3)°.In the title polymeric compound, [Pb(C N,N-diethylnicotinamide, see: Bigoli et al. ] = 0.019wR(F2) = 0.055S = 1.241542 reflections90 parameters1 restraintH-atom parameters constrainedmax = 1.53 e Å−3Δρmin = −0.75 e Å−3ΔρAbsolute structure: Flack 1983, 728 FriFlack parameter: 0.497 (14)APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812035647/xu5606Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligands bridge the CuII atoms, leading to the formation of a two-dimensional network parallel to (100). The structure is further stabilized by O—H⋯N hydrogen bonds within the network.In the title compound, [Cu(C DOI: 10.1107/S1600536812015176/hy2532Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Rh and B atoms lie on this axis and all others are in general positions. In the crystal, two unique C—H⋯F hydrogen-bonding interactions are present, which involve both imidazolin-2-ylidene H atoms. They form two separate C(5) motifs, the combination of which is a rippled hydrogen-bonded sheet structure in the ab plane.In the title compound, [Rh(C N-heterocyclic carbene rhodium and iridium complexes, see: Chianese et al. (C7H12N2)2]BF4                         = 0.020                           wR(F                           2) = 0.059                           S = 1.13                           14018 reflections218 parametersAll H-atom parameters refinedmax = 1.55 e Å−3                        Δρmin = −0.92 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL  I, global. DOI: 10.1107/S1600536811049890/fj2478Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811049890/fj2478Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N-containing ring is in a chair conformation, while the other two non-planar rings are in a half-boat conformation. In the crystal, molecules are linked by O—H⋯N interactions into a C(8) chain along [100].In the title compound, C DOI: 10.1107/S1600536811037226/bx2370Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [SnCl4(C14H14OS)2], exists in a cis-SnCl4O2 octahedral geometry. Of the four Cl atoms, two are close to adjacent S atoms [Cl⋯S = 3.320 (1) and 3.376 (1) Å]; the Sn—Cl bonds involving these two Cl atoms are longer than the other two Sn—Cl bonds.The six-coordinate Sn DOI: 10.1107/S1600536811015704/bt5525Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methyl groups are disordered over two equally occupied positions. In the crystal, intermolecular N—H⋯O hydrogen bonds link the molecules into infinite chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811040967/bq2308Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040967/bq2308Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It has an E conformation with respect to the azomethine double bond and a Z conformation about the amide C=N bond. The CuII atom has a slightly distorted square-pyramidal coordination geometry. The crystal packing involves intermolecular C—H⋯O, C—H⋯N and C—H⋯π and two types of π–π interactions, with centroid–centroid distances of 3.9958 (10) and 3.7016 (13) Å.The binuclear molecule of the title compound, [Cu DOI: 10.1107/S1600536812031467/fj2577Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The [Co(CN)6]3− anion exhibits an octahedral geometry. In the structure, cations and anions are linked alternatively through O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds, π–π interactions [centroid–centroid distances = 3.523 (2)–4.099 (2) Å] and van der Waals forces, forming a three-dimensional supramolecular network.The structure of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813003632/rz5042Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the thienyl groups and the bound THF are disordered with 0.5:0.5 occupancy. The free THF is disordered around the threefold axis.In the mononuclear title compound, [Tb(C DOI: 10.1107/S160053681104623X/nc2251Isup2.cdx            Supplementary material file. DOI: 10.1107/S160053681104623X/nc2251Isup3.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phosphoryl group and the NH unit are anti with respect to one another. The dihedral angle between the mean planes of the benzene rings is 31.08 (8)°. The crystal packing is stabilized by N—H⋯O hydrogen bonds, forming an extended chain parallel to the b axis.In the title compound, C DOI: 10.1107/S1600536811015832/jj2084Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry of both five-coordinate PbIIatoms is distorted Ψ-octahedral; if another two longer intermolecular Pb⋯O interactions [at 2.955 (1) and 3.099 (1) Å] are considered, the geometry is a distorted Ψ-square antiprism.The four cupferronate ions in the dinuclear title compound, [Pb DOI: 10.1107/S1600536811006775/bt5480Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 1,3-bis(benzimidazol-2-yl)-2-oxapropane ligand is tridentate. In the crystal structure, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the components into a three-dimensional network. The O atoms of one of the nitro groups are disordered over two sets of sites with refined occupancies of 0.577 (11) and 0.423 (11).In the title complex, [Mn(C DOI: 10.1107/S1600536810030357/lh5083Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Pd—P bond lengths are 2.3387 (11) Å, as the Pd atom lies on an inversion point, while the Pd—Cl bond lengths are 2.2950 (12) Å.The title compound,  R3P)2PdCl2 compounds with consanguinities, see: Muller & Meijboom 2] = 0.051wR(F2) = 0.111S = 1.193747 reflections198 parameters40 restraintsH-atom parameters constrainedmax = 1.54 e Å−3Δρmin = −1.49 e Å−3ΔρAPEX2  I, global. DOI: 10.1107/S160053681201478X/hb6729Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SCN− anions bridge the CdII cations into a layer structure parallel to (100). A weak intramolecular C—H⋯N interaction occurs. The layers are further assembled into a three-dimensional supramolecular structure via classical O—H⋯O hydrogen bonds.In the title compound, [Cd(NCS) DOI: 10.1107/S1600536812014730/xu5497Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Strong intermolecular O—H⋯O hydrogen-bonding interactions consolidate the crystal packing. The F atoms of the anion are disordered over two positions in a 0.5233 (3):0.4767 (3) ratio.In the title compound, [Cu(CH DOI: 10.1107/S1600536810024359/ez2212Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination around the Rh atom shows a slightly distorted square-planar arrangement.In the title compound,  DOI: 10.1107/S1600536811038505/mw2021Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing features intermolecular C—H⋯N, N—H⋯N and C—H⋯O hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536811017107/kp2327Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811017107/kp2327Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810047628/zq2074Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by intermolecular N—H⋯S hydrogen bonds with set graph-motif C(4) along [010]. N—H⋯ Cl hydrogen bonds with graph-set motif D(2) and D               3               3(10) link cations and anions.In the title salt, [Sn(CH DOI: 10.1107/S1600536810038705/bx2306Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 1            Enhanced figure:


The cations and anions are linked in a complex three-dimensional framework by three types of strong hydrogen bonds , which form various ring and chain patterns of up to the ternary graph-set level.In the title compound, (C DOI: 10.1107/S1600536810045435/nk2068Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methyl groups in para positions are disordered over two equally occupied positions. An intramolecular N—H⋯O hydrogen bond occurs. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds which link the molecules into chains running along the b axis.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811018770/bt5550Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811018770/bt5550Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex anion contains an FeIII atom within a distorted octahedral FeN2O4 coordination geometry. N—H⋯O and C—H⋯O hydrogen bonding, offset π–π stacking [centroid–centroid distance = 3.805 (13) Å] and C=O⋯π interactions [3.494 (14) Å] generate a three-dimensional network structure.In the title compound, (C DOI: 10.1107/S1600536812001493/rz2696Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: