The other 5-nitroisophthalte dianion has one carboxylate group chelating to a metal atom whereas the other bridges two metal atoms in a μ3-bridging mode. Both metal atoms show an octahedral coordination. The polymer adopts a layer motif, with the lattice dimethylformamide molecules occupying the space between adjacent layers.In the polymeric title compound, [Co DOI: 10.1107/S1600536810035270/bt5344Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two Ru atoms are connected into binuclear complexes via two bridging carbonyl groups, forming four-membered rings which are located on centres of inversion. The Ru—Ru distance of 2.7483 (11) Å corresponds to a single bond. The two carbonyl groups in these binuclear complexes are trans-oriented.In the crystal structure of the title compound, [Ru DOI: 10.1107/S1600536809026075/nc2148Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, one-dimensional chains are formed through intermolecular O—H⋯O hydrogen bonds, which are further linked into a two-dimensional network through Br⋯Br interactions [Br⋯Br = 3.772 (4) Å].In the title complex, [Co(C DOI: 10.1107/S1600536808026068/lh2677Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal centres are linked in an unusual triple-bridged mode into chains parallel to [101].In the title compound, [Cu(C DOI: 10.1107/S1600536809030050/pv2188Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The environment of the Sb atom approximates a trigonal-bipyramidal geometry, with the axial positions occupied by the O atoms of symmetry-related 4-(trifluoromethyl)benzoate ligands. In this ligand, the CF3 group is disordered by rotation about the C—C bond and the F atoms are distributed over two sets of sites with occupancies of 0.62 (3) and 0.38 (3). In the crystal, molecules are assembled in a three-dimensional framework through weak C—H⋯O hydrogen bonds.The title complex, [Sb(C DOI: 10.1107/S1600536809017449/bh2229Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The BaII ion adopts an irregular BaN3O6 geometry, arising from the crown ether and three adjacent thiocyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba⋯N interactions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an antiparallel arrangement of ribbons in the unit cell.In the title compound, [Au DOI: 10.1107/S1600536809045218/hb5102Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecule has a short intramolecular contact involving an aromatic H atom (Au⋯H = 2.64 Å); two adjacent molecules are linked by an Au⋯Hylid interaction (Au⋯H = 3.14 Å).The metal atom in the title ylid–gold(I) adduct, [Au(C DOI: 10.1107/S160053680904152X/ng2660Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The S atom from the other NCS− ion completes the distorted square-pyramidal coordination.In the title complex, [Cu(NCS) DOI: 10.1107/S1600536809048594/kj2135Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Ru atom in this complex is best described as having a considerably distorted octahedral coordination environment with the arene occupying three coordination sites. Two further coordination sites are occupied by chloride and bromide ligands, while the sixth site is occupied by the carbene. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C6H4C(CH3)3 arene by a CH2 bridge. This leads to a system with very little apparent strain. The two halogen atoms are disordered between Br and Cl. Two partial Cl atoms share the same sites as two partial Br atoms so that the title compound effectively has one Cl and one Br atom. C—H⋯X  hydrogen bonds help to stabilize the crystal structure.A new ruthenium complex, [RuBrCl(C DOI: 10.1107/S1600536808042256/at2686Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Water molecules that are bound in the axial position of the distorted octahedral coordination octahedron give rise to a stereogenic center at sodium.The packing of the title compound, [Na(C DOI: 10.1107/S1600536807067736/sj2452Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each of the VV atoms adopts a distorted octahedral geometry. Eight terminal O atoms are bonded to VV atoms with double bonds and the others act as bridging atoms. In the crystal structure, a network of N—H⋯O and O—H⋯O hydrogen bonds helps to establish the packing.In the title compound, (C DOI: 10.1107/S1600536810016442/hy2304Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cl atoms are disordered over two sets of sites, with relative occupancies of 0.749 (7) and 0.251 (7). In the crystal, the packing is consolidated by intermolecular C—H⋯O interactions.In the title compound, [Cu(C DOI: 10.1107/S1600536809043736/hb5145Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octahedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.The asymmetric unit of the title complex, [Ni(C DOI: 10.1107/S1600536809032279/xu2589Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry of the resulting NiN2O4 coordination can be described as distorted octahedral. Considerable C=O⋯π stacking interactions are observed between the carboxylate C=O groups and the pyridine rings of the (pydc)2− fragments, with O⋯π distances of 3.1563 (12) and 3.2523 (12) Å and C=O⋯π angles of 95.14 (8) and 94.64 (8)°. In the crystal structure, a wide range of non-covalent interactions, consisting of hydrogen bonding , ion pairing, π–π [centroid-to-centroid distance = 3.4825 (8) Å] and C=O⋯π stacking, connect the various components to form a supramolecular structure.The reaction of nickel(II) nitrate hexahydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C DOI: 10.1107/S1600536808016309/su2054Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810036202/wm2402Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two Ni atoms are bridged by two phenolate O atoms and the intramolecular Ni⋯Ni distance is 3.0751 (9) Å. The crystal structure is stabilized by O—H⋯Cl hydrogen bonds.In the title dinuclear nickel(II) complex, [Ni DOI: 10.1107/S1600536810016284/gk2267Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [Cu(C13H16ClN2O2)Cl], exists in a distorted square-planar coordination environment as the deprotonated Schiff base chelates to the CuII atom through three atom sites. In the crystal structure, adjacent molecules are linked by a Cu⋯Cl [3.011 (1) Å] bridge, generating a linear chain running along the b axis of the orthorhombic unit cell.The Cu DOI: 10.1107/S1600536809025215/xu2547Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure is consolidated by intermolecular O—H⋯O hydrogen bonding, as well as by π–π stacking interactions between adjacent naphthyl ring systems [centroid–centroid distance between parallel naphthoate rings is 3.768 (2) Å].In the title mononuclear complex, [Mg(C DOI: 10.1107/S1600536808006351/ng2419Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete ligand is generated by crystallographic twofold symmetry, resulting in an infinite one-dimensional architecture along [101].In the title coordination polymer, [FeCl DOI: 10.1107/S1600536810002837/hb5310Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The atoms of the acrylate ligand are disordered over two sites, with approximate occupancies of 0.90 and 0.10. In addition, the solvent hemimethanol molecule is disordered over two positions with equal occupancies. The crystal structure is stabilized by weak intermolecular O—H⋯O hydrogen bonds.In the title complex, [Co(C DOI: 10.1107/S1600536808032595/lh2706Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A network of N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds help to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2.In the title compound, [Y(C DOI: 10.1107/S1600536808008659/tk2260Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal centre  has a distorted tetrahedral coordination formed by two N atoms from one 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. There is intermolecular π–π stacking between adjacent 2,9-dimethyl-1,10-phenanthroline ligands, with a centroid–centroid distance of 3.733 (2)Å.In the title compound, [CuCl DOI: 10.1107/S1600536809034187/at2860Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three sulfate groups adopt both monodentate and bidentate coordination to the metal ions. Two of the sulfate groups serve as bridges in the (100) and (010) directions, yielding infinite sheets, whereas the third is pendant to one La3+ cation. The protonated organic species interacts with the layers by way of N—H⋯O hydrogen bonds, and O–H⋯O hydrogen bonds involving aqua ligands also occur.In the title compound, {(C DOI: 10.1107/S1600536809022272/hb2997Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular O—H⋯N hydrogen bond occurs. In the crystal structure, weak intermolecular C—H⋯π interactions generate a chain. The crystal studied was an inversion twin.In the title complex, [Cu(C DOI: 10.1107/S1600536809020546/hb2989Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination environment of the LaIII ion is formed by eleven O atoms. Three bidentate nitrate anions coordinate to the LaIII ion, while two HL ligands chelate the metal center with O atoms from the phenolate and methoxy groups. The HL ligands are zwitterionic, with protonated imine N atoms. The coordination sphere is completed by one methanol molecule. The protonated imine N atoms are involved in intramolecular N—H⋯O hydrogen bonds with the phenoxy groups and nitrate ligands. One O atom of one nitrate group is disordered over two sites of equal occupancy.The asymmetric unit of title compound, [La(NO DOI: 10.1107/S1600536810038109/bh2313Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu(C3H10N2)(H2O) units are linked via fumarate dianions into a zigzag chain running along the a axis. A longer Cu—O distance [2.873 (3) Å] is to a water molecule bridging equivalent CuII atoms in adjacent chains, forming a three-dimensional framework. One of the CuII atoms is in a distorted square-pyramidal environment and the other is in a pseudo-octahedral geometry of the [5+1] type. O—H⋯O and N—H⋯O hydrogen bonds are observed in the crystal structure.The asymmetric unit of the title compound, {[Cu(C DOI: 10.1107/S1600536808000160/ci2545Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The mean plane of the methoxy group is oriented at 14.3 (3)° with respect to the benzene ring to which it is attached. In the crystal structure, weak C—H⋯O hydrogen bonds form macrocyclic rings with R               2               2(10) and R               2               2(12) motifs.In the title compound, C DOI: 10.1107/S160053681000543X/lh2991Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The O—Zr—O bite angles of the acetonate ligands range from 75.27 (5) to 75.41 (5)°. The Zr atom is located on a twofold rotation axis.In the title compound, [Zr(C DOI: 10.1107/S1600536808014499/ng2456Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is isotypic with known A               2Sb4O11  structures and consists of an (Sb4O11)2− skeleton and two Rb atoms as charge-compensating cations. Distorted SbO6 octahedra share edges and corners, resulting in a layered assembly. Alternate stacking of the layers along the c axis leads to the formation of tunnels. The Rb+ ions, surrounded by nine and ten O atoms, respectively, are located in these tunnels. Some atoms in the structure are on special positions of m symmetry  and 2 symmetry (one O atom).The title compound, dirubidium tetraantimonate(V), Rb DOI: 10.1107/S1600536809016109/wm2230Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A twofold rotation axis passes through the Ni atom. N—H⋯O and N—H⋯N hydrogen bonds are present in the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536808006569/at2548Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The btmf ligands link adjoining MnII atoms into a zigzag chain along the a axis. The crystal structure is stabilized by intermolecular O—H⋯N hydrogen bonds, which link the chains, forming a two-dimensional layer parallel to (10In the title complex, [FeMn(C DOI: 10.1107/S1600536809053823/dn2521Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular N—H⋯Cl and O—H⋯Cl hydrogen bonds build up an intricate three-dimensional network.In the title compound, [CuCl DOI: 10.1107/S1600536809046121/dn2503Isup2.hklStructure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


N—H⋯O hydrogen bonding is present in the crystal structure.In the crystal structure of the title compound, [Cu(C DOI: 10.1107/S1600536809004577/xu2458Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Na3V2(PO4)3 belongs to the family of NASICON-related structures and is built up from isolated [VO6] octahedra (3. symmetry) and [PO4] tetrahedra (.2 symmetry) interlinked via corners to establish the framework anion [V2(PO4)3]3−. The two independent Na+ cations are partially occupied [site-occupancy factors = 0.805 (18) and 0.731 (7)] and are located in channels with two different oxygen environments, viz sixfold coordination for the first  tris(orthophosphate), were grown from a self-flux in the system Na DOI: 10.1107/S1600536810002801/wm2293Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712 (4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenylene ring .The title imidazolium-based ionic-liquid salt, C DOI: 10.1107/S1600536809026324/tk2494Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The piperazinium dication lies on an inversion centre and adopts a typical chair conformation. In the crystal, a combination of N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds results in the formation of a three-dimensional network.In the title compound, (C DOI: 10.1107/S1600536809041063/su2149Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The diethyl ether ligand adopts a nearly planar W-type conformation.In the title compound, [Li(C DOI: 10.1107/S1600536809011556/dn2437Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure displays weak intermolecular N—H⋯Cl hydrogen bonding.In the title compound, [PdCl DOI: 10.1107/S1600536809008472/rk2132Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII ion, lying on an inversion centre, is four-coordinated in a square-planar geometry by two phenolate O and two imine N atoms from two symmetry-related 2-iminomethyl-5-methoxyphenolate ligands. In the crystal, molecules are linked into corrugated layers parallel to (100) by N—H⋯O hydrogen bonds.The title compound, [Ni(C DOI: 10.1107/S1600536809039233/ci2923Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two inversion-related CdII ions are separated by 3.9920 (6) Å and are bridged by two O atoms from two nitrite ligands. There are two types of π–π stacking interactions involving symmetry-related pyrazole rings, with centroid–centroid distances of 3.445 (2) and 3.431 (2) Å.In the title centrosymmetric binuclear complex, [Cd DOI: 10.1107/S1600536809039841/lh2917Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII complex cation, with approximate twofold symmetry, displays a slightly distorted octahedral geometry around the ZnII atom, which is coordinated by two N atoms from a 5,5′-dimethyl-2,2′-bipyridine ligand and by the O atoms of four water molecules. In the crystal, O—H⋯O hydrogen bonds help to establish the packing.The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S160053680902488X/pv2173Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536808023799/tk2286Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810042455/sj5040Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PdII atom displays a slightly distorted square-planar PdP2S2 geometry with a bidentately coordinated pyridin-2-ylcarbonimidodithioate ligand and two triphenylphosphine molecules, coordinated in cis positions. The crystal structure features weak π–π [centroid–centroid distance =3.7327(15) Å] and C–H⋯π interactions and contains an almost spherically shaped void of 50.4 Å3 per unit cell.The title compound, [Pd(C DOI: 10.1107/S1600536810050518/im2253Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anion connects three AgI atoms through its O and two N-donor atoms. One neutral ligand functions in a monodentate mode; the other functions in a bridging mode, binding though its two N atoms. The coordination geometry of the two independent metal atoms is T-shaped; the manner of bridging gives rise to a layer motif parallel to (100). In the crystal, the nitrate ion is disordered over two positions in a 1:1 ratio, and is sandwiched between adjacent layers. O—H⋯O hydrogen bonding is present between nitrate ions and layers, and also between adjacent layers.The title coordination polymer, {[Ag DOI: Click here for additional data file.10.1107/S1600536812046090/xu5648Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The zinc atom is bonded to two N atoms belonging to triazole bridging rings and to two terminal bromide ligands, in a geometry close to tetrahedral. Weak N—H⋯Br hydrogen bonds, with the amine functions as donor groups, are observed in the crystal structure, forming a three-dimensional supramolecular network.The centrosymmetric dimeric title complex, [Zn DOI: 10.1107/S1600536811028789/bh2370Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak intermolecular C—H⋯O hydrogen bonds stabilize the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536811009056/hy2415Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex anion, the Ag+ cation is bound to two I− anions in a linear geometry. The anion was modelled assuming disorder around a crystallographic inversion centre near the location of the Ag+ cation. The crystal packing is stabilized by a strong intermolecular N—H⋯N hydrogen bond, which links the cations into zigzag chains with graph-set notation C(16) running along the face diagonal of the ac plane. The N-bound H atom is disordered over two equally occupied symmetry-equivalent sites, so that the molecule has a pyridinium ring at one end and a pyridine ring at the other.The structure of the title compound, (C DOI: 10.1107/S1600536811047295/zl2424Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The S atom acts as a bridge to two neighbouring PbII ions, thereby forming a double thiolate chain. Moreover, the coordinating carboxylate O atom forms bridges to the PbII ions in the adjacent chain. The overall coordination sphere of the PbII ion can be described as a highly distorted pentagonal bipyramid with a void in the equatorial plane between the long Pb—S bonds probably occupied by the stereochemically active inert electron pair. The amino H atoms form N—H⋯S and N—H⋯O hydrogen bonds, resulting in a cluster of four complex units, giving rise to an R44(16) ring lying in the ab plane. The crystal structure of the title compound has been reported previously [Freeman et al. . Additional details of the hydrogen bonding are presented here.In the title coordination polymer, [Pb(C al. 1974. Chem. S DOI: 10.1107/S1600536812011877/hb6608Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecule exhibits an almost planar macrocycle with an average deviation of the 24 macrocyclic atoms from their least-squares plane (Δ24) of 0.04 Å and an average Pt—N bond length of 2.022 Å. Despite the unsymmetrical substitution pattern, there is no significant difference between distortion of the geometry at the phenyl substituted meso position and those of unsubstituted meso positions.The title compound, [Pt(C DOI: 10.1107/S1600536811026882/ya2143Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the components into a three-dimensional network.In the title complex, (CH DOI: 10.1107/S1600536812011439/lh5430Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CdII atom is five-coordinated by three N atoms from the HABPT ligand and two chloride ions. In the crystal, molecules are linked via N—H⋯N, N—H⋯Cl and C—H⋯Cl hydrogen bonds into a supramolecular network.In the title compound, [CdCl DOI: 10.1107/S1600536811012517/zq2094Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two PPh3 ligands are in trans positions [P—Pd—P = 176.743 (17)°], while the pyrimidinyl ligand and Br atom are trans to one another [C—Pd—Br = 176.56 (5)°]. Structural parameters from NMR, IR and mass spectra are in agreement with the crystal structure of the title compound.In the title complex, [PdBr(C DOI: 10.1107/S1600536810038511/jh2211Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both amine N atoms are protonated. The piperazine ring adopts a chair conformation. The Cu—Cl distances in the tetrahedral anion are in the range 2.2360 (7)–2.2732 (7) Å. In the crystal, moderately strong and weak intermolecular N—H⋯Cl hydrogen bonds link the anion and cation units into an infinite two-dimensional network parallel to the ab plane.The title compound, (C DOI: 10.1107/S1600536811024354/vn2015Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pendant diethylamino group of the CQ ligand was found to be protonated. The complex exhibits a nearly linear coordination geometry around the AuI atom [N—Au—P = 176.94 (6)°], with Au—N and Au—P bond lengths of 2.070 (2) and 2.2338 (7) Å, respectively. The diethylammonium group and one of the two nitrate counter-ions are disordered with occupancy ratios of 0.519 (4):0.481 (4). The nitrate anions are hydrogen bound to both the amino and ammonium groups of the N,N-diethylpentanaminium fragment of the CQ.The title compound, [Au(C DOI: 10.1107/S1600536810031144/pv2313Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The AuI ions are each coordinated in a slightly distorted linear environment, with P—Au—Cl angles of 177.20 (4) and 178.54 (4)°.The asymmetric unit of the title compound, [AuCl(C DOI: Click here for additional data file.10.1107/S1600536812049975/lh5564Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the pda anion, the dihedral angles between the pyridine ring and carboxylate groups are 19.5 (6) and 73.3 (6)°. The carboxylate groups of the pda anions bridge the Pb ions, forming a two-dimensional coordination polymer parallel to (100). Weak intermolecular C—H⋯O hydrogen boning is present in the crystal structure.In the title coordination polymer, [Pb(C DOI: 10.1107/S1600536811000419/xu5124Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In one of the cations, the three symmetry-unique O—H groups are disordered over two sets of sites with refined occupancy ratios of 0.701 (9):0.299 (9), 0.671 (8):0.329 (8) and 0.566 (7):0.434 (7). In the anion, the ZnII ion is coordinated in a distorted tetrahedral environment by four S atoms of two chelating 1,3-dithiole-2-thione-4,5-dithiolato ligands. The dihedral angle between the mean planes [maximun deviations = 0.022 (3) and 0.0656 (6) Å] of the two ligands is 87.76 (3)°. An intamolecular O—H⋯O hydrogen bond occurs in the disordered cation. In the crystal, O—H⋯O and O—H⋯S hydrogen bonds link the components into a two-dimensional network parallel to (0-11).In the asymmetric unit of the title compound, (C DOI: 10.1107/S1600536813014992/lh5618Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Neighboring CdII ions are bridged by the benzene-1,3-dicarboxylate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supramolecular structure through O—H⋯O and N—H⋯O hydrogen bonds.In the title compound, [Cd(C DOI: 10.1107/S1600536810022117/lx2148Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate group of the anion appears to be delocalized on the basis of the C—O bond lengths. In the crystal, the components are linked by intermolecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811033502/om2459Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033502/om2459Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).In the centrosymmetric title compound, [Cd DOI: 10.1107/S1600536811051348/nc2254Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-molecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a CuI atom in a terminal mode and is oriented outside the ring. The macrocycles are interconnected into a two-dimensional network by π–π interactions between benzimidazole groups from different rings [centroid–centroid distance = 3.803 (5) Å.The title compound, [Cu DOI: 10.1107/S160053681200102X/im2344Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII ions are bridged by the ligands, forming a helical chain along [001]. C—H⋯N and C—H⋯Cl hydrogen bonds and π–π interactions between the imidazole rings [centroid–centroid distance = 3.4244 (10) Å] assemble the chains into a three-dimensional supramolecular network.In the title complex, [Zn(C DOI: 10.1107/S1600536812012706/hy2526Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging coordination mode of the ligands leads to the formation of layers parallel to (-101). N—H⋯O hydrogen-bonding interactions within the layers and S⋯S contacts of 3.257 (3) Å between the layers lead to the cohesion of the structure.In the title compound, [Co(C DOI: Click here for additional data file.10.1107/S1600536812044431/wm2684Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In each complex dication, the NiII atom is coordinated by six N atoms from three en ligands forming a distorted octahedral coordination geometry. In the crystal, the ions and water molecules are linked into a three-dimensional framework by a large number of N—H⋯O and O—H⋯O hydrogen bonds.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810027066/ci5127Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two cyclopentadienyl rings exhibit a staggered conformation, which results from the bulky bis(4-tert-butylphenyl)methyl substituents situated on opposite sides of the molecule.The molecule of the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812041360/mw2088Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecules are linked by O—H⋯O hydrogen bonds, forming a chain developing parallel to [101].In the title compound, [Zn(C DOI: 10.1107/S1600536811012244/dn2671Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII cation is N,O,O′-chelated by the deprotonated Schiff base ligand and is further coordinated by a Cl− anion in a distorted ClNO2 square-planar geometry. In the crystal, adjacent molecules are linked by N—H⋯O and N—H⋯Cl hydrogen bonds, forming a two-dimensional network parallel to [100].The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S160053681203574X/xu5610Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two ends of the N—Si—N chelating unit exhibit different affinity to the metal center. The Ti—Namine bond is longer than the Ti—Nanilide bond by about 0.29 Å. The two ligands are arranged trans to each other and the molecule demonstrates a pseudo-twofold rotation along the axis of the Ti—Cl bond. The five–coordinate Ti atom demonstrates a highly distorted trigonal-bipyramidal geometry.In the monomeric title titanium(III) compound, [Ti(C DOI: 10.1107/S1600536810025092/rk2217Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two aromatic rings are almost coplanar, making a dihedral angle of 4.73 (5)°. The crystal structure is stabilized by N—H⋯O hydrogen bonds, which link the molecules into chains along the b axis.In the title compound, C DOI: 10.1107/S1600536811051944/ds2157Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051944/ds2157Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the benzene rings is 67.1 (3)°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in intermolecular N—H⋯O and N—H⋯Cl hydrogen bonds, forming a three-dimensional network.In the title compound, [ZnCl DOI: 10.1107/S160053681303417X/lh5676Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


Intra- and intermolecular π–π stacking is present in the crystal structure, and the centroid–centroid distances between the benzene and pyridine rings of adjacent dmphen ligands are 3.492 (3) and 3.592 (3) Å, respectively. Intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions help to stabilize the crystal structure.In the title complex, [Pb(NO DOI: 10.1107/S1600536810022312/xu2779Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II               L               3]−1 [tpm = tris(1H-pyrazol-1-yl)methane and L = thiocyanate] anion yielded the methanol-solvated salt, [(tpm)2NiII][(tpm)NiII(NCS)3]2·2CH3OH or [Ni(C10H10N6)2][Ni(NCS)3(C10H10N6)]2·2CH3OH. The asymmetric unit consists of half a centrosymmetric bis[tris(1H-pyrazol-1-yl)methane]nickel(II) cation and an octahedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent molecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650 (3) and 0.350 (3). There are O—H⋯S interactions between the methanol and the disordered thiocyanate anion, and a weak C—H⋯O hydrogen bond between the cation and the methanol O atom.Attempts to prepare the mononuclear [(tpm)Ni DOI: 10.1107/S1600536811045144/ng5255Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two CdII atoms are bridged by two chloride anions, forming an inversion-related Cd2Cl2 unit; these units are further linked through thiocyanate anions, leading to a chain structure extending parallel to [010]. Weak π–π stacking interactions with centroid–centroid distances of 3.430 (4) Å and an interplanar separation of 3.390 (3) Å between the pyridine and benzene rings link the chains into a two-dimensional network parallel to (C DOI: 10.1107/S1600536811051373/wm2567Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PdII atom has a slightly distorted square-planar coordination sphere. The effective cone angle for the trisphosphane ligand was calculated to be 169°. In the crystal, the metal complex and solvent molecules are linked via C—H⋯Cl interactions, generating chains along [10-2]. There are also C—H⋯π and weak π–π interactions present , forming of a three-dimensional structure.In the dimeric title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812048556/su2534Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bis-chelating dimethylglyoximate ligands, which occupy equatorial sites, are linked by strong intramolecular O—H⋯O hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536812000967/is5041Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CoII ion is in a tetrahedral coordination geometry. The cations exhibit chair-shaped conformations. A three-dimensional supramolecular architecture is formed through N—H⋯Cl and C—H⋯Cl hydrogen bonds between the dianions and the cations.The title compound, (C DOI: 10.1107/S1600536811053128/pk2366Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each CuII atom, lying on an inversion center, is coordinated by two N atoms from two NCS− anions and two N atoms from two monodentate 1-phenyl-3-propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent molecules occupy the axial positions with long Cu⋯S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordination sphere. Weak intermolecular C—H⋯O hydrogen bonds are present.The title compound, [Cu(NCS) DOI: 10.1107/S160053681203108X/hy2568Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II ion in the title molecular salt, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by N—H⋯Br hydrogen bonds involving both the coordinating and the free bromide species as acceptors. A C—H⋯Br interaction is also observed. Overall, a three-dimensional network results.The Cu DOI: Click here for additional data file.10.1107/S1600536812047447/hb6993Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiIII ions are coordinated by four S atoms in a square-planar geometry. The anions exhibit two packing modes, viz. stacked along the a axis in a face-to-face fashion with an alternate arrangement of anions and cations, and stacked in a side-by-side fashion, forming ribbons parallel to (011).The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811004971/rz2554Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The silver ion is surrounded by two tryptanthrin ligands, each coordinating through the N atoms, with Ag—N bond lengths of 2.247 (3) and 2.264 (3) Å, and an anionic nitrate ligand coordinating through two O atoms, with Ag—O bond lengths of 2.499 (3) and 2.591 (3) Å. The N—Ag—N plane and the O—Ag—O plane are roughly perpendicular, making a dihedral angle of 81.6 (2)°. In the crystal, C—H⋯O interactions between aromatic H atoms and keto and nitrate O atoms as well as π–π interactions [centroid-centroid distance = 3.706 (4) Å] give rise to a three-dimensional network.In the crystal structure of the title compound, [Ag(NO DOI: 10.1107/S1600536812001821/rn2096Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S160053681002725X/jh2179Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the dianion, the Co2+ cation is tetrahedrally coordinated by four Cl atoms; the Co—Cl bond lengths correlate with the number of hydrogen bonds that the chloride ions accept. The crystal cohesion is supported by electrostatic interactions which, together with numerous N—H⋯Cl, N—H⋯ and C—H⋯Cl hydrogen bonds, lead to a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536810025079/hb5513Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ge atom also lies on a 32 symmetry site and is coordinated by six F atoms. The en ligand has a twofold rotation axis passing through the mid-point of the C—C bond. The F atom is disordered over two sites with equal occupancy factors. In the crystal, the [Cd(en)3]2+ cations and [GeF6]2− anions are connected through N—H⋯F hydrogen bonds, forming a three-dimensional supramolecular network.In the title compound, [Cd(C DOI: 10.1107/S160053681200983X/hy2520Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CeIII cation is coordinated by six O atoms from carboxyl groups and two O atoms from coordinated water molecules in a distorted square-antiprismatic arrangement. Extensive O—H⋯O and O—H⋯N hydrogen bonding occurs in the crystal structure.In the title compound, {[Ce(C DOI: 10.1107/S1600536812013402/xu5485Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The metal atom is surrounded by two different neutral ligands, namely dimethylsulfoxide (DMSO) and water, each coordinating through the O atom. The anionic saccharinate  ligand coordinates through the N atom. Each of the three similar ligand pairs is in a trans configuration with respect to each other. The Co atom lies on a crystallographic center of symmetry and the octahedral geometry is not significantly distorted. A short O—H⋯O hydrogen bond is present between a water H atom and the ketone O atom; two longer hydrogen bonds (intra- and intermolecular) are also present between a water H and a sulfonic O atom, forming a supramolecular assembly through head-to-tail aggregation between adjacent complexes.The title complex, [Co(C DOI: 10.1107/S1600536811045296/br2180Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is the first homoleptic lanthanide complex of this amidinate ligand. The central CeIII ion is coordinated by three chelating benzamidinate anions in a distorted octahedral fashion, with Ce—N distances in the narrow range 2.482 (2)–2.492 (2) Å. The dihedral angles between the phenyl rings and the chelating N—C—N units are in the range 73.3–87.9°, thus preventing conjugation between the two π-systems. The molecule is located on a twofold rotation axis, and one of the phenyl rings is equally disordered over two alternative symmetry-equivalent positions around this axis.The title compound, [Ce(C DOI: 10.1107/S1600536810042704/zl2316Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The rather large positively charged guanazole ligand moiety promotes the low metal coordination number of 2 for the CuI atom. The compound was obtained using the electrochemical alternating-current technique starting from an ethanol–methanol solution of CuSiF6·4H2O and guanazole. In the crystal, N—H⋯F hydrogen bonds play an important role in the formation of a three-dimensional network. As a result of these hydrogen bonds, there are also π–π interactions [centroid–centroid distance = 3.3024 (14) Å] involving one of the triazole groups in molecules related by an inversion center, and short Cu⋯N interactions [2.909 (3) Å] involving an –NH2 group, leading to the formation of a dimer-like arrangement.In the title compound, [Cu(C DOI: 10.1107/S160053681004225X/su2214Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiocyanide anions bridge the CuI atoms into a chain along [100]. π–π interactions between the pyridine and benzene rings of the isoquinoline ligands connect the chains [centroid-to-centroid distance = 3.722 (3) Å].In the title coordination compound, [Cu(NCS)(C For rel al. 1999; Li, Wu  al. 2011; Li, Xia al. 2011.9H7N)(C18H15P)] = 0.041wR(F2) = 0.108S = 1.054313 reflections298 parametersH-atom parameters constrainedmax = 0.41 e Å−3Δρmin = −0.25 e Å−3ΔρSMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812004837/hy2511Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The asymmetric unit of the complex contains two independent [Zn(C10H15N3)2]2+ cations and four perchlorate anions. The ZnII atom in each complex cation is six-coordinated by two pyridine N, two imine N and two amine N atoms from two N-methyl-N′-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine Schiff base ligands in a distorted octahedral geometry. The pyridine rings in each of the complex cations are approximately perpendicular to each other, making dihedral angles of 88.4 (3) and 87.9 (3)°. The perchlorate anions are linked to the complex cations through N—H⋯O hydrogen bondsThe title mononuclear zinc(II) complex, [Zn(C DOI: 10.1107/S1600536811026079/sj5175Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Fe atom is coordinated by two carbonyl ligands, a triphenylphosphane ligand and a bis-bidentate dithiolate ligand, and also forms an Fe—Fe bond [2.5167 (16) Å]. Together, the six bonded atoms form a very distorted octahedral arrangement.The title compound, [Fe DOI: 10.1107/S1600536811040621/hb6432Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyrrolidine rings adopt envelope conformation and make a dihedral angle of 51.76 (19)° with each other. The cyclopentadiene rings of the ferrocenyl moiety have an eclipsed conformation. The Br atom deviates by 0.0190 (9) Å from the attached benzene ring. The molecular structure features an intramolecular C—H⋯N interaction, which generates an S(8) ring motif. The crystal packing features C—H⋯O interactions, which generate R22(18) centrosymmetric dimers, as well as C—H⋯π interactions.In the title compound, [Fe(C DOI: 10.1107/S1600536813023064/pv2643Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The tetraazacyclotetradecane ligand interacts with the NiII atom in the cis V configuration and the final two ligand binding sites are occupied by water.The crystal structure of the title complex, [Ni(C DOI: 10.1107/S160053681203276X/pk2429Isup2.molSupplementary material file. DOI: 10.1107/S160053681203276X/pk2429Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure of the complex consists of an [Mn(dmf)6]2+ cation and a [Cr(NCS)5(dmf)]2− anion (dmf = dimethylformamide). The MnII and CrIII atoms show a slightly distorted octahedral MnO6 and CrN5O coordination geometries with adjacent angles in the range 85.29 (13)–95.96 (14)°.The title compound, [Mn(C For bac al. 1992.3H7NO)6][Cr(NCS)5(C3H7NO)] = 0.053wR(F2) = 0.100S = 0.679620 reflections463 parameters4 restraintsH-atom parameters constrainedmax = 0.85 e Å−3Δρmin = −0.57 e Å−3ΔρCrysAlis CCD  used to solve structure: SHELXTL  I, global. DOI: 10.1107/S1600536812023069/ff2065Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812023069/ff2065Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Both the Li and B atoms show a tetrahedral coordination by four equal ligands. The acetonitrile and isothiocyanate ligands are linear. The bond angles at the B atom are close to the ideal tetrahedral value [108.92 (18)–109.94 (16)°], but the bond angles at the Li atom show larger deviations [106.15 (17)–113.70 (17)°].The crystal structure of the title salt, [Li(CH DOI: Click here for additional data file.10.1107/S1600536813009082/ng5320Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The acetate O atoms, which exhibit monodentate coordination, are oriented in a trans configuration with respect to each other, whereas the pyridyl N atoms are coordinated in a cis configuration. The compound crystallizes with two crystallographically unique cations and two anions per asymmetric unit along with a disordered, partially occupied (occupancy = 0.128) acetonitrile solvent molecule. Crystals of the title complex were found to be twinned by pseudomerohedry with a 180° rotation around [10-1] and a refined contribution of 90.5 (3)% of the major twin component.In the title compound, [Co(C DOI: Click here for additional data file.10.1107/S1600536813011136/wm2736Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813011136/wm2736Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is stabilized by intermolecular O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distances = 3.4669 (19) and 3.764 (2) Å].In the title compound, (C DOI: 10.1107/S1600536810054371/bt5430Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Partial hydrolysis led to the title compound, the hydrochloric acid adduct of the dichloride, having a pentacoordinated Sn atom with a trigonal–bipyramidal C2SnCl3 core. The N atom of the 2-[(diisopropylammonio)methyl]phenyl ligand forms a strong intramolecular N—H⋯Cl hydrogen bond, resulting in a zwitterionic species, [2-(iPr2HN+CH2)C6H4]SnBuCl3               −·CH2Cl2. Disorder was found in the n-butyl group, which was refined as disordered over three positions, with site occupancies of 0.22 (1), 0.51 (1) and 0.27 (2).The title compound, [Sn(C DOI: 10.1107/S1600536810050713/zl2332Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CrC4P2 coordination geometry at the Cr atom is distorted octahedral, with a P—Cr—P bite angle of 70.27 (2)°.The title compound, [Cr(C DOI: 10.1107/S1600536810043692/cv2782Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, cations and anions are linked via weak N—H⋯Cl and C—H⋯Cl hydrogen bonds. Double layers of complex anions stack along the b- axis direction, which alternate with double layers of 4-(dimethylamino)-pyridinium cations.In the anion of the title compound, (C DOI: 10.1107/S1600536813015602/vm2195Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II atom in the title compound, [Cd(C6H12NS2)2(C10H8N2)], is hexacoordinated by two dithiocarbamate ligands and the N atoms from a bidentate 2,2′-bipyridyl molecule. The coordination geometry is based on a distorted trigonal–prismatic arrangement of the N2S4 donor set. Supramolecular chains, aligned along the a-axis direction, are mediated by C—H⋯S interactions and these are connected into layers that stack along the c axis via π–π interactions [Cg(pyridyl)⋯Cg(pyridyl) = 3.6587 (13) Å].The Cd DOI: 10.1107/S1600536811006878/pk2304Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Nd+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-antiprismatic fashion by eight O atoms from bridging pyrazine N,N′-dioxide ligands. There are two unique pyrazine N,N′-dioxide ligands. One ring is located around an inversion center, and there is a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and interact with the coordination network through C—H⋯O hydrogen bonds.The title three-dimensional coordination network, {[Nd(C DOI: 10.1107/S1600536810031818/zl2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Nouv. J. Chim.                4, 235–237] of the title compound, [V2(C4H10NO)4O3], the current study reports an improved precision of the derived geometric parameters, along with the deposition of all coordinates and displacement parameters. The two VV atoms are each surrounded by two deprotonated N,O-bidentate diethylhydroxylaminate groups, and a terminal and a bridging oxide ligand, in a distorted octahedral coordination geometry. The crystal packing is accomplished by van der Waals interactions.In comparison with the previous determination [Saussine, Mimoun, Mitschler & Fisher 1980. Nouv. J DOI: 10.1107/S1600536811020551/wm2493Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular π–π stacking interactions between the phen and DHB ligands [centroid–centroid distances = 3.542 (4) and 3.879 (4) Å] and between the pyridine and benzene rings of adjacent phen ligands [centroid–centroid distance = 3.751 (4) Å] stabilize the crystal structure. Intramolecular O–H⋯O hydrogen bonds are observed in the DHB ligands.In the mononuclear title complex, [Dy(C DOI: 10.1107/S1600536810048348/hy2381Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


O—H⋯O hydrogen bonding, as well as π–π interactions between neighbouring phenanthroline ligands, with centroid–centroid distances of 3.695 (1) Å, lead to the construction of a three-dimensional network.The title compound, {[Mn(C DOI: 10.1107/S1600536812016819/wm2618Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812016819/wm2618Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, N—H⋯Cl hydrogen bonds link cations and anions into chains running along the c axis. The crystal packing is further stabilized by weak C—H⋯Cl and C—H⋯N interactions.In the title salt, (C DOI: 10.1107/S1600536812017187/cv5283Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O—H⋯O hydrogen bonds between protonated and deprotonated carboxylate groups occur in the molecular structure. In the crystal structure extensive O—H⋯O and N—H⋯O hydrogen bonds help to stabilize the three-dimensional supramolecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8).In the title complex, [Cd(C DOI: 10.1107/S1600536810031466/xu5001Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two CuII ions are bridged by two hydroxide anions resulting in a Cu2O2 loop, located across an inversion center and connected by the nitrate anions into a broad two-dimensional polymeric structure parallel to (100). In the crystal, there are O—H⋯O hydrogen bonds between the coodinated water molecule and the nitrate and hydroxide, and between the hydroxide and the nitrate. Intermolecular π–π interactions are present between pyridine rings in adjacent two-dimensional structures, with a centroid–centroid distance of 3.582 (2) Å.The title compound, [Cu DOI: 10.1107/S1600536812010355/bg2449Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010355/bg2449Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The monoclinic structure with its typical β angle close to 90° [90.823 (4)°] is isotypic with the mineral cryolite (Na3AlF6) and the high-temperature structure of the Na3               MCl6 series, with M = Eu–Lu, Y and Sc. The isolated, almost perfect [DyCl6]3− octahedra are interconnected via two crystallographically different Na+ cations: while one Na+ resides on centres of symmetry (as well as Dy3+) and also builds almost perfect, isolated [NaCl6]5− octahedra, the other Na+ is surrounded by seven chloride anions forming a distorted [NaCl7]6− trigonal prism with just one cap as close secondary contact.Single crystals of the title compound, trisodium hexachloridodysprosate, Na DOI: 10.1107/S1600536811014498/hp2006Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is further assembled by O—H⋯O hydrogen-bond interactions involving both the coordinated and uncoordinated water molecules. The latter exhibits half-occupancy.The title compound, [Cu DOI: 10.1107/S1600536811022756/jh2295Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The (pyridin-2-yl)methanethiolate ligand is attached to the Fe2(CO)5 unit in a μ-κN:κ2               S mode, and the methanethiolate ligand is coordinated to the Fe2(CO)6 unit in a μ-κ2               S fashion.The title compound, [Fe DOI: 10.1107/S1600536811047751/tk5011Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each [WO4]2− anion bridges two adjacent [NiL]2+ cations, forming a chain along [001]. The chains are further connected via N—H⋯O, O—H⋯O and C—H⋯O hydrogen-bonding interactions, generating a three-dimensional structure.In the title compound, {[NiWO DOI: 10.1107/S1600536812034538/pv2574Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII atom is coordinated by a chloride ion, two N atoms from the 1,10-phenanthroline ligand, and a monodentate carboxylate O atom from the pinononate anion, forming a CuN2ClO approximate square plane. A symmetry-generated pinononate O atom completes a square-based pyramidal geometry for the copper ion. The bridging 2-acetate anion leads to chains in the crystal propagating in [001]. Adjacent 1,10-phenanthroline rings form a dihedral angle of 39.4 (2)°.The title compound, [Cu(C Cl(C12H8N2)] = 0.036                           wR(F                           2) = 0.097                           S = 1.03                           3647 reflections265 parametersH-atom parameters constrainedmax = 0.67 e Å−3                        Δρmin = −0.30 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811048586/hb6482Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 1,3-bis(imidazol-1-ylmethyl)benzene and 2,2′-dihydroxy-1,1′-methylenebis ligands connect the ZnII ions alternately in different directions, forming a layered structure parallel to the ac plane. Topological analysis reveals that the whole structure is a  network. The layers are further assembled into a three-dimensional supramolecular structure via C—H⋯O and C—H⋯π interactions.In the title compound, [Zn(C DOI: 10.1107/S1600536811054584/vm2140Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the CuII ions is coordinated in a distorted square-planar environment and the other is coordinated in a distorted square-pyramidal environment. The long apical Cu—O bond of the square-pyramidal coordinated CuII ion is formed by a symmetry-related O atom, creating a one-dimensional polymer along [010]. In addition, short intermolecular Cl⋯Cl distances [3.444 (2) Å] and weak π–π interactions [centroid–centroid distances = 3.736 (2)–3.875 (3) Å] are observed. The crystal studied was an inversion twin with a refined twin component ratio of 0.60 (1):0.40 (1).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536812028462/lh5494Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The TiIV atom is coordinated in a distorted octahedral geometry by four N atoms from two derivatized methanamine ligands and two N atoms from two dimethylamide ions. The dihedral angles between the pyrrole and phenyl rings in the bidentate ligands are 62.36 (9) and 78.32 (8)°. In the crystal, a weak π–π stacking interaction [centroid–centroid distance = 3.864 (2) Å] involving centrosymmetrically related molecules is observed.The mononuclear title complex, [Ti(C N-[(pyrrol-2-yl)methylene]-1-phenylmethanamine, see: Brunner et al. 2(C12H11N2)2] = 0.039wR(F2) = 0.121S = 1.084578 reflections320 parametersH-atom parameters constrainedmax = 0.32 e Å−3Δρmin = −0.33 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812014365/rz2726Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the dications and perchlorate anions are linked through N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding into a three-dimensional supramolecular network.In the title compound, C DOI: 10.1107/S1600536811033976/xu5296Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033976/xu5296Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two of the tert-butyl groups are also disordered [occupancy ratios = 0.70 (5):0.30 (5) and 0.63 (4):0.37 (4)]. Although the pincer ligand offers the possibility for coordination of two different metal atoms, the present structure shows only the coordination of a single PdII atom in a typical S—C—S tridentate pincer manner. The PdII atom is in a slightly distorted square-planar environment with the two tert-butylsulfanyl groups arranged in a trans conformation and with a chloride ligand trans to the σ-bonded aromatic C atom. The structure exhibits a durene-like ligand frame, forming a dihedral angle of 13.6 (4)° with the metal coordination (Pd/S/S/Cl/C) environment. It is noteworthy that the tert-butyl groups are found in a syn arrangement, this being different to that found previously by Loeb, Shimizu & Wisner .The title compound, [Pd(C DOI: Click here for additional data file.10.1107/S1600536813003036/pk2463Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The pyridine-2,4-dicarboxylic acid ligands exhibit a new coordination mode. Adjacent metal centers are linked by the O atoms of the pyridine-2,4-dicarboxylic acid ligands, and then form a three-dimensional supramolecular polymeric framework.In the title complex, [Ba(C DOI: 10.1107/S1600536810023457/pb2031Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The amine H atoms form both intramolecular and intermolecular N—H⋯Ocarboxyl hydrogen bonds which, together with intermolecular O—H⋯Ocarboxyl hydrogen bonds and N—H⋯F associations form ribbon structures along the a axis.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811023087/zs2117globalsup2.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central C—O—C fragment, in which the C atoms are the chiral centers, is characterized by an angle of 116.26 (10)° at the O atom. One ferrocene group shows a staggered conformation whereas the other shows an eclipsed conformation.The title complex, [Fe DOI: Click here for additional data file.10.1107/S1600536812048064/bh2465Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S160053681102890X/ng5198Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The water molecule of crystallization further links the metal complex and the crown ether macrocycles into a chain along the c axis.In the title compound, [CuBr DOI: 10.1107/S1600536810023500/jj2036Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is an intramolecular N—H⋯I hydrogen bond. In the crystal, π–π stacking interactions [centroid–centroid distance = 3.594 (1) Å] are observed.In the mononuclear title complex, [CuI(C I complexes, see: Santra et al. (C18H15P)2] = 0.028wR(F2) = 0.075S = 1.039368 reflections448 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.90 e Å−3Δρmin = −0.26 e Å−3ΔρSMART  used to solve structure: SHELXS97 SHELXL97 Mercury  I, global. DOI: 10.1107/S1600536812021010/lh5472Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The morpholine ring adopts a chair conformation.In the title complex, [CuBr(C DOI: 10.1107/S160053681002670X/hb5543Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both ZnII ions are five-coordinated by two O atoms and two N atoms from the L ligand and one O atom of an acetic acid molecule, giving rise to a square-pyramidal geometry around the ZnII ions. The GdIII ion is nine-coordinated by four O atoms from the outer O2O2 sites of one ligand, and three O atoms from another ligand, in which there is one non-coordinating methoxy O atom. Two further O atom from different acetate ligands complete the nine-coordinate environment.In the trinuclear title complex, di-μ-acetato-1:2κ DOI: Click here for additional data file.10.1107/S160053681204634X/pv2601Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Ni—N bond lengths range from 2.074 (2) to 2.094 (2) Å. The dihedral angles between the three chelating NCCN groups to each other are 85.71 (3), 73.75 (2) and 85.71 (3)°, respectively. The Ni cation, the phenyl ring of the 1,10-phenanthroline ligand and the lattice water molecule are located on special positions (site symmetry 2). In the crystal, the uncoordinated 2,4,5-tricarboxybenzenoate anions join with each other through O—H⋯O hydrogen bonds, forming a two-dimensional hydrogen-bonded layer structure along the bc plane. The layers are further linked via additional O—H⋯O interactions between water and carboxyl groups, resulting in a three-dimensional supramolecular network.In the title compound, [Ni(C DOI: 10.1107/S1600536811048914/bq2318Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The FeII cations are connected via bridging 4,4′-dipyrazine ligands into chains along the b-axis direction. The asymmetric unit consists of one FeII cation located on position with site symmetry 2/m, one thiocyanate anion located on a mirror plane and one disulfide ligand located on a twofold rotation axis.In the title compound, [Fe(NCS) For general background to this work, see: Wriedt & Näther 2011. For a d2(C8H6N4S2)2] = 0.051wR(F2) = 0.113S = 1.151242 reflections86 parametersH-atom parameters constrainedmax = 0.69 e Å−3Δρmin = −0.34 e Å−3ΔρX-AREA  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536813021958/nr2047Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two Cl− anions bridge neighboring BiIII cations, forming a zigzag polymeric chain along the a axis. The discrete methylpiperazinediium cation adopts a normal chair conformation and is linked to the polymeric chains by N—H⋯Cl hydrogen bonding.In the crystal structure of the title compound, {(C DOI: 10.1107/S1600536810031417/xu5013Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The chain motifs are oriented parallel to the c-axis direction. Individual chains are connected into a supramolecular network via O—H⋯O hydrogen bonding involving the aqua ligands.In the title compound, {[Cd(C DOI: 10.1107/S1600536811047842/ds2153Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the anionic complex, the FeIII ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C—H⋯O interactions, which create ten-membered hydrogen-bonded R22(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous intermolecular O—H⋯O and N—H⋯O interactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536812020247/bq2350Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Weak intramolecular C—H⋯O hydrogen bonding is observed between the carbonyl group and the benzene ring. In the crystal, classical N—H⋯O hydrogen bonds and weak C—H⋯O interactions are present.In the title compound, C DOI: 10.1107/S1600536811055140/xu5415Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536811055140/xu5415Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A symmetry-related pair of six-membered hydrogen-bonded rings [graph-set motif S11(6)] are present for the terminal vanillin–imine moieties. Two lattice methanol solvent molecules are present per formula unit (Z′ = 1/2), which form hydrogen-bonded chains along [010] with two orientations due to disorder of the methanol H-atom.The title compound, C DOI: 10.1107/S1600536812034940/hg5235Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CdII ion is coordinated by three water O atoms and three carboxylate O atoms of two different 5-hydroxyisophthalate ligands, which act as bidentate and monodentate ligands. The crystal structure is stabilized by O—H⋯O hydrogen bonds.The title compound, [Cd(C DOI: 10.1107/S160053681104236X/bt5673Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII ion displays a distorted tetrahedral coordination environment with four S atoms from two S,S′-chelated N-(trifluoromethylsulfonyl)dithiocarbimate anions. In the crystal, besides the ionic interaction of the oppositely charged ions, intermolecular C—H⋯O interactions between cations and anions are observed. One of the cations interacts with an inversion-related equivalent by π–π stacking between phenyl rings, with a centroid–centroid distance of 3.932 (4) Å.The title salt, (C DOI: 10.1107/S160053681105207X/pk2371Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S160053681103306X/gw2107Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII atom is pentacoordinated by four μ2-Cl atoms and one terminal Cl atom in a trigonal–bipyramidal geometry. The trigonal–bipyramidal units are linked by two opposite shared faces, giving rise to infinite [CdCl3]n chains parallel to the a axis. The cations surround the chain and are linked to them by S—H⋯Cl and C—H⋯Cl hydrogen bonds, forming a three-dimensional network.The title compound, {(C DOI: 10.1107/S1600536811050513/ng5241Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure shows a μ2-O:O′-bridging mode of the four 3,4,5-trimethoxybenzoate ligands finally stabilizing the two ZnII atoms in the dinuclear complex in a distorted square-pyramidal environment. The fifth coordination site in the apical position of the pyramid is occupied by a coordinating dimethyl sulfoxide solvent molecule equally disordered over two positions.The colourless title complex, [Zn DOI: 10.1107/S1600536813023118/kj2227Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813023118/kj2227Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br− atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br− anions (site symmetry The Cu DOI: 10.1107/S1600536811051117/hb6533Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure exhibits hydrogen bonding between the two dimethylpyrazole H atoms and two F atoms of one hexafluoridoantimonate anion. Three relatively short Ag⋯F contacts  exist between the cation and three different SbF6               − anions. The crystal used for data collection was found to be twinned by non-merohedry, with the two components being related by a 180° rotation around the real or reciprocal a axis. Integration resulted in 11.2% of the total peaks being assigned to component 1, 11.2% to component 2, and 77.6% to both components.The title compound, [Ag(C DOI: 10.1107/S1600536811010567/fj2400Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 2            Enhanced figure:


A second iodide ligand, situated in the apical position, completes the coordination geometry. In the crystal structure, C—H⋯O hydrogen bonds link a pair of molecules around an inversion centre into a dimer.In the title compound, [ZnI DOI: 10.1107/S1600536811014656/hy2422Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3 (2) and 53.5 (2)°, respectively. The two Zr—O—Zr bridge angles are nearly linear and form a planar Zr3O2 core. The molecule bears C2 symmetry with the central Zr atom lying on a crystallographic twofold axis.The title compound, [Zr DOI: 10.1107/S1600536812024968/pk2418Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligands bridge the ZnII atoms, leading to the formation of a two-dimensional network parallel to (010). The structure is further stabilized by C—H⋯N, C—H⋯π and π–π [centroid–centroid distance = 3.7523 (11) Å] interactions within the network.In the title compound, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812050672/zq2192Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812050672/zq2192Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging carbonyl C—C(=O)—C plane makes a dihedral angle of 54.32 (5)° with the naphthalene ring system and 21.45 (6)° with the phenyl ring. An intermolecular C—H⋯O hydrogen bond exists between the H atom of one methoxy group and the O atom of the second methoxy group in an adjacent molecule. The crystal packing is additionally stabilized by a weak C—H⋯O intermolecular interaction between an H atom of the naphthalene ring and the O atom of the carbonyl group.In the title compound, C DOI: 10.1107/S1600536811005630/fk2037Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmmetric unit comprises one Cu+ cation, one I− anion and one phen ligand. Each Cu+ cation is in a distorted tetrahedral coordination by two iodide anions and two N atoms from a bidentate chelating phen ligand. The Cu+ cations are bridged through the iodide anions, leading to a zigzag chain structure extending parallel to [100]. There are π–π interactions among adjacent phen ligands of one chain [centroid–centroid distance = 3.693 (3) Å].The solvothermal reaction of copper(I) iodide and 1,10-phenanthroline (phen) in ethanol yielded the title polymeric compound, [CuI(C DOI: 10.1107/S1600536810043205/kp2280Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyrrolidine ring is almost perpendicular to the indenoquinoxaline ring system, making a dihedral angle of 84.44 (5)°. The cyclopentadienyl rings of the ferrocene moiety adopt an eclipsed conformation. The crystal packing features weak C—H⋯N and C—H⋯π interactions.In the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812048349/bt6861Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812048349/bt6861Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SnIV ion is coordinated by two N atoms [Sn—N = 2.266 (2) and 2.274 (2) Å] from the bis(2-pyridyl)selenide ligand and four chloride anions [Sn—Cl = 2.3717 (6)–2.3939 (6) Å] in a distorted octahedral geometry. The central six-membered chelate ring has a boat conformation with the Se and Sn atoms deviating by 0.692 (3) and 0.855 (3) Å, respectively, from the mean plane through the remaining four ring atoms. The pyridine rings are inclined to each other by a dihedral angle of 49.62 (8)°. The crystal packing exhibits short intermolecular Se⋯Cl contacts [3.5417 (7) and 3.5648 (7) Å], weak C—H⋯Cl hydrogen bonds and π–π stacking interactions between the pyridine rings with a centroid–centroid distance of 3.683 (3) Å.The title compound, [SnCl DOI: 10.1107/S160053681202586X/cv5309Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two planes are aligned at an angle of 59.6 (1)°. The Cl atoms occupy cis positions in the octahedral SnCl2O4 coordination environment. The solvent molecule is disordered about a center of inversion.The two Sn—O—C—C—C—O chelate rings in the title compound, [Sn(C DOI: 10.1107/S1600536810028084/bt5299Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cobalt(II) cation is coordinated by two terminal N-bonded thiocyanate anions and two N-bonded 1,3-bis(pyridin-4-yl)propane ligands, as well as two O atoms of methanol molecules in a slightly distorted octahedral coordination mode. Adjacent cations are connected into chains parallel to [10The asymmetric unit of the title compound, [Co(NCS) DOI: 10.1107/S1600536812000499/wm2581Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The slightly distorted octahedral coordination environment of the two FeII ions is completed by two monodentate aqua ligands and two thiocyanate ligands. One of the 1,4-bisbenzene molecules lies across an inversion center. In the crystal, O—H⋯N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, π–π stacking interactions involving the benzene and triazole rings, with centroid–centroid distances in the range 3.502 (5)—3.787 (6) Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network. In the title compound, [Fe DOI: 10.1107/S1600536812026141/lh5483Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII ion adopts a distorted square-pyramidal ZnN2O3 coordination. The bridging mode of the dianion leads to the formation of zigzag chains parallel to [010]. Intermolecular π–π stacking interactions [centroid–centroid distance of 3.5716 (12) Å] lead to the formation of a two-dimensional network parallel to (001).The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536812024610/bg2464Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII atom in the monoanion has a distorted triganol–pyramidal geometry, being coordinated by three O atoms and one N atom from one 2-{3-[2-(carboxylatomethoxy)phenyl]pyrazol-1-yl}acetate ligand and one Cl atom. In the dication, the ZnII atom is located on an inversion center and is coordinated by six O atoms in a slightly distorted octahedral geometry. In the crystal, the ions are linked by O—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also C—H⋯O and C—H⋯Cl interactions present, which lead to the formation of a three-dimensional structure.The asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536812023045/su2397Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligands link the CoII ions into a linear chain running along [201]. One O atom of the nitrate ligand is disordered over two positions with site-occupancy factors of 0.59 (4) and 0.41 (4).In the title compound, [Co(NO DOI: 10.1107/S1600536811018630/ng5160Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are significant differences in the chemically equivalent Cd—O bond lengths [2.618 (2) Å and 2.561 (2) Å].In the title compound, [Cd(C DOI: 10.1107/S1600536811038712/lh5332Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4-ethoxybenzoyl groups at the peri positions of the naphthalene ring system are disordered over two sets of sites with occupancies of 0.769 (4) and 0.231 (4). They are directed in opposite directions from the naphthalene plane (anti orientation). For the major component, the dihedral angle between the aroyl benzene ring and the naphthalene ring system is 75.62 (13)° [minor component 75.5 (4)°], and that between the aroyl benzene rings is 32.58 (15)°. In the crystal, molecules are linked via C—H⋯O and C—H⋯π interactions, forming a three-dimensional network.The title molecule, C DOI: Click here for additional data file.10.1107/S1600536813008581/gk2562Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813008581/gk2562Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CoII ions are six-coordinated in a slightly distorted octahedral geometry and exhibit two types of coordination environments. One CoII ion, located on an inversion center, is coordinated by two water O atoms as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxylate ligands. The other CoII ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxylate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxylate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N—H⋯O, O—H⋯O, and C—H⋯O hydrogen-bonding interactions between the water molecules and the imidazole-4,5-dicarboxylate ligands.In the title compound, {[Co DOI: 10.1107/S1600536811045764/pv2457Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Furthermore, the O=C—C=C—N mean plane and the O=C—O(ester) plane make a dihedral angle of 55.5 (6)°. Consistent with this large dihedral angle, the linking C—C bond [1.507 (6) Å] does not show any  double-bond character.In the title compound, [Fe(C DOI: 10.1107/S1600536811047763/fj2460Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate group of the POPA anion displays a bis-monodentate mode, linking pairs of CoII ions into a chain parallel to [001]. Adjacent chains are connected in a perpendicular manner through 4,4′-bipy ligands into layers parallel to (100). The 4,4′-bipy ligand is likewise located on a twofold rotation axis, with a dihedral angle between the two pyridine rings of 57.05 (7)°. C—H⋯O hydrogen-bonding interactions are present within the layers. π–π stacking interactions between the POPA benzene rings of neighbouring layers [centroid-to-centroid distance = 3.976 (3) Å and plane-to-plane distance = 3.618 (3) Å] stabilize the packing of the structure.In the polymeric title compound, [Co(C DOI: 10.1107/S1600536811042875/wm2537Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by O—H⋯O hydrogen bonds involving carboxyl groups, forming one-dimensional ladders. Two-dimensional layers are formed by interpenetration of these one-dimensional ladders.In the title compound, C DOI: 10.1107/S1600536812012275/bq2343Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812012275/bq2343Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two further weak intramolecular Sn⋯O contacts [2.744 (2) and 2.655 (2) Å] are formed by the chloroacetato ligands.In the title complex, [Sn(C DOI: 10.1107/S1600536811028649/lh5269Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It has two chiral centers which both exhibit an R configuration. Two ferrocene groups are present in the molecular structure, with their cyclopentadienyl ring planes showing an almost perpendicular arrangement [dihedral angle 88.6 (1)°].The title compound, [Fe DOI: 10.1107/S1600536810024293/im2210Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This study concerns a structural redetermination using single-crystal X-ray diffraction data, collected at the low temperature of 180 K, of a recently investigated material whose structural details have been proposed from powder X-ray diffraction studies . The main difference between the two models rests on the position of the H atoms. While two H atoms were modeled as attached to the same phosphonate group in the powder determination, in the current model, the same H atoms are instead distributed among two of these groups. The sample studied was an inversion twin.The asymmetric unit of the title compound, poly[(μ al. 2011. J. Am.  DOI: 10.1107/S1600536812005508/gk2450Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812005508/gk2450Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The plane of the pyridine ring forms a dihedral angle of 16.2 (2)° with the essentially planar (r.m.s. deviation = 0.006 Å) imidazopyrazine system. In the crystal, molecules are linked by weak C—H⋯N interactions.The structure of the title compound, C DOI: 10.1107/S1600536810022993/hb5478Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetrahedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis(diphenylphosphanyl)propane ligands, forming polymeric ribbons parallel to the a axis.In the title coordination polymer, [Ag For rel al. 2010; Cui, Ji al. 2010; Mu et a al. 2010; Affandi al. 1997.       2(NCS)2(C27H26P2)2] = 0.038                           wR(F                           2) = 0.079                           S = 1.03                           4605 reflections298 parametersH-atom parameters constrainedmax = 0.44 e Å−3                        Δρmin = −0.50 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811041250/rz2645Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the cations, the morpholine rings are in a chair conformation. In the crystal, ions are linked by weak C—H⋯F hydrogen bonds into a three-dimensional network.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536812001006/rz2692Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the 1-benzyl-3-methylimidazolium units, the dihedral angles between imidazolium and phenyl rings are 80.47 (15) and 76.53 (14)°. The F atoms of the general-position hexafluorophosphate anion are disordered over two sets of sites in a 0.767 (17):0.233 (17) ratio. In the crystal, the hexafluorophosphate anions link the cations into three-dimensional networks via intermolecular C—H⋯F hydrogen bonds and are further consolidated by π–π stacking [centroid–centroid distances = 3.5518 (15) Å] interactions.In the title compound, K[Ag(C DOI: 10.1107/S1600536810051925/hb5767Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One CdII atom is coordinated by four Cl atoms and two O atoms from two morpholinium ligands, while the other is coordinated by six Cl atoms. Adjacent CdII atoms are interconnected alternately by paired chloride bridges, generating a chain parallel to the a axis. Interchain N—H⋯Cl interactions form a two-dimensional network.In the title compound, [Cd DOI: 10.1107/S160053681102914X/jh2310Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, adjacent molecules are linked together via N—H⋯O and N—H⋯Cl hydrogen bonds, forming infinite layers parallel to the ab plane. The layers are further connected through C—H⋯Cl interactions into a three-dimensional network.In the title compound, [CdCl DOI: 10.1107/S1600536810032563/pv2318Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both the bdc species in the asymmetric unit are completed by crystallographic inversion symmetry. The bridging bdc dianions link the cadmium nodes into a rectangular grid lying parallel to (01In the title layered coordination polymer, {[Cd(C DOI: 10.1107/S160053681004328X/hb5699Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯Cl hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.745 (3) Å] are present in the crystal.In the title compound, [CoCl DOI: Click here for additional data file.10.1107/S1600536812041116/hy2591Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: