The cations and anions are connected by N—H⋯O and O—H⋯O hydrogen bonds into layers in the ab plane.In the title compound, [Fe(SO DOI: 10.1107/S160053681101405X/nc2220Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


N-pyrazolylpropanamide (PPA) complex, [CuBr(PPA)2]Br, was obtained in 78% yield by treatment of CuBr2 with an excess of the ligand in methanol. Crystallization from the mother liquid afforded the title compound, i.e. the methanol solvate [CuBr(C6H9N3O)2]Br·CH3OH or [CuBr(PPA)2]Br·MeOH, as bright green crystals. In the solid state, the title salt comprises isolated [CuBr(PPA)2]+ cations, separated bromide ions and methanol of crystallization. In the cation, the central CuII ion is coordinated by two N,O-chelating PPA ligands and one Br− ion. The coordination geometry around the CuII ion is distorted trigonal–bipyramidal with the bromide ligand and the amide O atoms occupying the equatorial positions , while the pyrazole N atoms coordinate in the axial positions [Cu—N = 1.975 (2) and 1.976 (2) Å]. In the crystal, the three constituents are linked by N—H⋯Br, O—H⋯Br, and N—H⋯O hydrogen bonds, forming a three-dimensional network.The title copper(II)  DOI: 10.1107/S1600536812038111/qk2039Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The anion is completed by application of a -3 axis. The MnII ion is six-coordinated by six O atoms from two aqua ligands and three different cyclohexacarboxylate anions in an octahedral geometry. The six carboxylate groups adopt a bridging bidentate mode to ligate the MnII ions. Thus, each cyclohexane-1,2,3,4,5,6-hexacarboxylate anion adopts a μ9-connected mode, ligating nine different MnII ions and forming a three-dimensional framework. In the framework, there are strong O—H⋯O hydrogen-bonding interactions, which further stabilize the crystal structure.The asymmetric unit of the title compound, [Mn DOI: 10.1107/S1600536813015626/bx2441Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the dinuclear molecule, two NiII cations are bridged by the butane-1,2,3,4-tetracarboxylate (BTC4−) anion. Each NiII atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC4− anion and three aqua ligands in a distorted octahedral geometry. Intermolecuar O—H⋯O hydrogen bonds and π–π stacking interations  consolidate the crystal packing.The asymmetric unit of the title compound, [Ni DOI: 10.1107/S1600536810045137/cv2791Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


As a result of the different trans effects of Br, N and O atoms, the Mn—N bond trans to the Br atom is slightly longer than the Mn—N bond trans to the N or O atoms. In the crystal, the dpa ligands are not planar, the dihedral angles between the two pyridine rings being 29.2 (4) and 28.2 (3)°. The complex cations and the Br− anions are linked by intermolecular O—H⋯Br and N—H⋯Br hydrogen bonds. Intermolecular π–π interactions are present between the pyridine rings, with a centroid–centroid distance of 3.793 (4) Å.In the title compound, [MnBr(C II complexes with a di-2-pyridylamine ligand, see: Bose et al. 2(H2O)]Br = 0.057                           wR(F                           2) = 0.174                           S = 0.96                           4215 reflections271 parametersH-atom parameters constrainedmax = 1.02 e Å−3                        Δρmin = −1.02 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811048100/hy2487Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, C—H⋯Br interactions link the molecules.The asymmetric unit of the title compound, [ZnBr DOI: 10.1107/S1600536810028692/hb5556Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal cations are μ-1,3-bridged via thiocyanate anions into chains that are further connected into layers parallel to the ab plane by bridging isonicotinate anions. The layers are stacked along the c axis. The crystal structure is stabilized by O—H⋯O hydrogen bonds.In the crystal structure of the title compound, [Cd(NCS)(C DOI: Click here for additional data file.10.1107/S1600536812040913/bt6838Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuI ion, together with its chelating butane-1,3-dione group, is mutually coplanar [greatest displacement of an atom from this plane = 0.037 (1) Å], and the CuI ion lies slightly above [0.013 (1) Å] the plane. The overall geometry, including the bond distances and angles within the complex, corresponds to those of other reported copper(I) β-diketonates featuring organic groups at the β-diketonate ligand.In the title mononuclear coordination complex, [CuFe(C DOI: 10.1107/S1600536811001796/si2308Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 2            Enhanced figure:


These chains are further extended into a three-dimensional network via O—H⋯O hydrogen-bonding interactions and interchain π–π stacking interactions [centroid–centroid distance = 3.662 (2) Å].In the title compound, [Co DOI: 10.1107/S1600536811019970/sj5153Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tetrahedral angles are in the range 104.93 (9)–118.81 (9)°.In the title compound, [Zn(C DOI: 10.1107/S1600536811054821/bv2196Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PbII atom is seven-coordinated by six O atoms and one N atom from the H2               L ligands, giving a capped octahedral coordination geometry. The structure is a layered two-dimensional coordination polymer extending parallel to (100) with N—H⋯O hydrogen bonds interactions between the layers, stabilizing the crystal structure.The crystal structure of the two-dimensional polymeric title compound, [Pb(C DOI: 10.1107/S1600536811017065/go2009Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains two Er, one Ba, and four S atoms, each with .m. site symmetry. The structure consists of channels formed by corner- and edge-sharing ErS6 octahedra in which Ba atoms reside. The resultant coordination of Ba is that of a bicapped trigonal prism.Barium dierbium(III) tetrasulfide, BaEr DOI: Click here for additional data file.10.1107/S1600536813003541/br2222Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812016777/zs2193Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the cations are linked by strong C—H⋯O hydrogen bonds into C(6) chains along [100]. The cations and anions are linked into a three-dimensional architecture by weak C—H⋯N and C—H⋯S interactions.The asymmetric unit of the title ion-pair complex, (C DOI: 10.1107/S1600536812033831/bx2420Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The anion is perfectly ordered and so the positions of the C—NH2 vertex and the fluorine substituent are clearly assigned. The relatively short C—N bond length may be interpreted in terms of a very electron deficient {closo-1-CB11} cluster.In the asymmetric unit of the title salt, C DOI: 10.1107/S1600536812004424/ru2027Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, molecules are linked by N—H⋯N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C—H⋯O interactions, which generate R               2               2(18) ring motifs within an infinite sheet. Finally, two C—H⋯π interactions are present, where the C—H groups are from the pyridine ring and π is the pyrrole ring.In the title compound, C DOI: 10.1107/S1600536810025341/hb5530Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging ligand, which is completed by crystallographic twofold symmetry, links the CoII atoms into [10In the title one-dimensional coordination polymer, [Co(C DOI: 10.1107/S160053681004715X/hb5708Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination around the HgII ion may be described as highly distorted trigonal–bipyramidal. Centrosymmetric dimers are formed by an additional weak Hg⋯Cl interaction, leading to a distorted octahedral coordination geometry around the HgII ion. In the neutral title complex, [HgCl DOI: 10.1107/S1600536812026591/im2385Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The acetoxy and acetyl groups deviate from the thiazole plane by 69.17 (6) and 7.25 (19)°, respectively. The thiazole and benzene rings form a dihedral angle of 73.50 (4)°. In the crystal, centrosymmetrically related molecules are connected into dimeric aggregates via C—H⋯O interactions.The structural analysis of the title compound, C DOI: Click here for additional data file.10.1107/S1600536813004236/tk5195Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813004236/tk5195Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Sb and N atoms are trans to each other.In the title compound, [FePdCl(C DOI: 10.1107/S1600536813015109/vn2072Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiII atom is six-coordinated in a distorted octahedral geometry defined by the two N atoms of the bipy ligand and four water O atoms. The crystal structure contains extensive classical O—H⋯O hydrogen bonds, which link the ions into a two-dimensional array in the ab plane. Layers are connected into a three-dimensional supramolecular structure by C—H⋯O interactions.The asymmetric unit of the title complex, [Ni(C DOI: 10.1107/S160053681202538X/tk5105Isup2.cdxSupplementary material file. DOI: 10.1107/S160053681202538X/tk5105Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: Click here for additional data file.10.1107/S1600536812046648/xu5650Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodecahedral CdN4O4 coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion.The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate–nitrite title complex, [Cd(NO DOI: 10.1107/S1600536811002431/wm2452Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains three Zn sites, three B-atom sites , two P sites (both with m symmetry) and nine O-atom sites (four with m symmetry). The fundamental building units of the title structure are isolated BO3 triangles and PO4 tetrahedra, which are bridged by ZnO4 tetrahedra or ZnO5 trigonal bipyramids through common O atoms, leading to a three-dimensional framework structure. Some significant structural differences between the β-polymorph and the α-polymorph are discussed.Crystals of β-Zn DOI: 10.1107/S1600536810051871/wm2419Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the NiII atom, located on a twofold rotation axis, is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated ligand. The dihedral angle between the substituted benzene rings is 23.19 (17)°. In the crystal, a short intermolecular Br⋯Br [3.6475 (7) Å] interaction is present.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536812020375/su2421Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The three arms form a pocket and one amidic O atom accepts an intermolecular hydrogen bond with the protonated amine. The tetrafluoroborate anion is outside the cavity and is hydrogen bonded to one amide N atom. Adjacent organic cations are connected by a pair of N—H⋯O hydrogen bonds, forming a chain.In the title compound, C DOI: 10.1107/S1600536810024323/rk2214Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NdIII atoms are linked by HL               − and L               2− ligands [H2               L is 5-(pyridine-4-carboxamido)isophthalic acid], forming a bilayer network. The layers are linked into a three-demensional network through N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, {[Nd(C DOI: 10.1107/S1600536811034532/ng5214Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


C. R. H DOI: 10.1107/S1600536813018588/br2229Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536810049007/bq2246Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The water molecule participates in the formation of hydrogen bonds, resulting in a three dimensional network involving the Cl atoms and the NH groups. The terminal C atom of the ethyl group is disordered over two sites of equal occupancy.In the title compound, [CoCl DOI: 10.1107/S1600536811011032/pv2382Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hydroxy group forms an intramolecular O—H⋯O hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.The deprotonated Schiff base ligand in the title salt, [Ni(C DOI: 10.1107/S1600536810039292/xu5041Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Fe2S2 core adopts a butterfly shape, with each metal having a pseudo square-pyramidal geometry. The N-substituted azadithiolate is μ2-κ4S,S′:S,S′-coordinated to the Fe(CO)3 moieties to form two fused six-membered rings with different conformations. The sum of the C—N—C angles around the N atom [356.85 (15)°] indicates a flattening of the trigonal–pyramidal geometry about the N atom and an increase in the degree of sp2-hybridization.The title compound, [Fe DOI: 10.1107/S1600536812003753/mw2048Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Er+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 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, {[Er(C DOI: 10.1107/S1600536810031843/zl2301Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PtII atom is in a distorted square-planar environment and is bound to the ligand via the P and amine N atoms in a cis fashion, with the chlorine atoms located at the two remaining sites.The title compound, [PtCl DOI: 10.1107/S1600536811040086/go2028Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each AlO4 unit shares four O atoms with four adjacent PO4 units, leading to an anionic chain along [100]. The negative charge of the chain is compensated by doubly protonated camphoric amine cations. N—H⋯O hydrogen bonds connect the cations and the anionic chains. O—H⋯O hydrogen bonds are present in the chain.In the title compound, {(C DOI: 10.1107/S1600536812028826/hy2556Isup2.molSupplementary material file. DOI: 10.1107/S1600536812028826/hy2556Isup3.cdxSupplementary material file. DOI: 10.1107/S1600536812028826/hy2556Isup4.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812028826/hy2556Isup5.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, molecules are linked by weak C—H⋯O interactions.In the mononuclear title complex, [Cu(C DOI: 10.1107/S1600536811045636/ff2036Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bond angles at the Ni atom lie between 96.69 (2) and 115.40 (3)°, while the dihedral angle between the mean planes of the two thiourea ligands is 6.36 (15)°. The crystal structure is characterized by intra- and intermolecular N—H⋯Cl hydrogen bonds, which lead to the formation of two-dimensional networks lying parallel to the ab plane. The networks are linked via classical N—H⋯Cl and N—H⋯S hydrogen bonds, forming a three-dimensional arrangement.The title complex, [NiClri 2012b. Acta Cr For rel al. 2007; Zouihril. 2007a. For rel al. 2010.2(CH4N2S)2] = 0.017wR(F2) = 0.045S = 1.081695 reflections132 parameters10 restraintsAll H-atom parameters refinedmax = 0.25 e Å−3Δρmin = −0.15 e Å−3ΔρAbsolute structure: Flack 1983, 745 FriFlack parameter: 0.069 (10)APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812006174/fj2518Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Pb2+ ion is seven-coordinated by five O atoms from three benzoate anions and two N atoms from the 1,10-phenanthroline ligands. The benzoate anions adopt two different coordination modes, one bidentate–chelating and one tridentate bridging–chelating. The three-dimensional supramolecular framework is achieved by intermolecular π–π stacking interactions, with a shortest centroid–centroid distance of 3.617 (4) Å.In the centrosymmetric dinuclear title compound, [Pb DOI: 10.1107/S160053681101840X/wm2486Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak Cu⋯Cl interactions [2.793 (5) Å] result in the formation of a chain along the a axis.In the title complex, [Cu(C Cl] = 0.038wR(F2) = 0.098S = 1.022325 reflections172 parametersH-atom parameters constrainedmax = 0.29 e Å−3Δρmin = −0.33 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812013359/hg5195Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Zn atom is in a distorted octahedral ZnN2O4 coordination environment. The crystal structure is stabilized by O—H⋯O hydrogen bonds and π–π stacking of the phenanthroline units [centroid–centroid distances in the range 3.552 (2)–3.625 (2)Å] occurs between the chains. The title compound is isotypic with the Cu and Mn analogues. The title compouand {[Zn(C DOI: 10.1107/S1600536811024780/rk2279Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the CuII atom is distorted square-planar, which is supported by the N2O2 donor atoms of the coordinated Schiff base. The dihedral angle between the symmetry-related substituted benzene rings is 29.40 (19)°. In the crystal, a short I⋯I [3.8766 (6) Å] contact is present and links neighbouring molecules into chains propagating along the a axis.In the title compound, [Cu(C DOI: 10.1107/S1600536812020387/su2420Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Dy+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 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, {[Dy(C DOI: 10.1107/S160053681003182X/zl2299Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the benzene rings and the pyrazine ring are 14.66 (8) and 49.76 (12)°.In the title complex, [Ir(C DOI: 10.1107/S1600536812031546/hy2570Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Its crystal structure is isotypic with the iron and cobalt analogues , built from MnO4(OH)(OH2) octahedra and MnO5(OH2) octahedra by sharing their trans or skew edges, which are interconnected by PO3(OH) and PO4 tetrahedra via corner-sharing. The crystal structure features extensive O—H⋯O hydrogen-bonding interactions.The title compound, Mn al. 2012. Inorg.  DOI: 10.1107/S160053681201673X/br2199Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II ion in the title complex, [PdI2(C14H10N4)], is four-coordinated in a slightly distorted square-planar environment by the two pyridine N atoms of the chelating 2,3-di-2-pyridylpyrazine (dpp) ligand and two iodide anions. In the crystal, the pyridine rings are considerably inclined to the least-squares plane of the PdI2N2 unit [maximum deviation = 0.090 (2) Å], making dihedral angles of 65.0 (2) and 66.6 (2)°. The pyrazine ring is perpendicular to the unit plane, with a dihedral angle of 89.9 (2)°. The complex molecules are connected by C—H⋯I hydrogen bonds, forming a helical chain along the b axis.The Pd DOI: 10.1107/S1600536811044023/is2795Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the imidazoline-1-oxyl-3-oxide unit of the ligand, the four methyl groups and the C atoms to which they are bonded are disordered over two sets of sites, with a refined occupancy ratio of 0.737 (5):0.263 (5). In the title complex, [CuCl DOI: 10.1107/S1600536811040475/bh2382Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


V compound, [Nb2(C44H28N4)2O3], each Nb atom is seven-coordinated with three bridging O atoms and four N atoms from a chelating tetraphenylporphyrinate anion. The Nb—O bond lengths range from 1.757 (6) to 2.331 (6) Å, and the average (niobium–pyrrole N atom) distance is 2.239 Å. In the dinuclear molecule, the Nb⋯Nb separation is 2.8200 (8) Å, and the dihedral angle between the two porphyrinate mean planes is 5.4 (1)°. Weak intermolecular C—H⋯π interactions are present in the crystal structure.In the title dinuclear Nb DOI: 10.1107/S1600536811020538/xu5216Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methoxide ligands form an asymmetric bridge between the two TiIV atoms [Ti—O bond lengths of 1.9794 (12) and 2.0603 (12) Å] with the two phenolato ligands occupying the remaining basal sites [Ti—O 1.8218 (11) and 1.8135 (11) Å]. The Ti—O—C phenolato bond angles are similar at 161.24 (10) and 160.66 (11)°. The methyl ligand attached to the metal atom has a Ti—C bond length of 2.0878 (17) Å.The molecule of the title compound, [Ti DOI: 10.1107/S1600536813025634/gg2122Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The terpyridine moiety is nearly planar, the dihedral angles between the central and the outer rings being 4.06 (9) and 5.39 (9)°. The N atoms in the two pyridine rings are oriented nearly antiperiplanar to that of the central ring. The benzene ring is rotated out of the plane of the central ring of the terpyridine unit by 34.65 (6)°.The title compound, C DOI: 10.1107/S1600536813031541/nc2320Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031541/nc2320Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CH unit and the Cl atoms of the CHCl3 molecule are disordered over two equally occupied positions. The complex shows a trans square-planar geometry about the Pt atom.Both the platininum complex and the solvent molecule of the title compound, [PtBr DOI: 10.1107/S1600536811016849/bt5541Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, π–π interactions [centroid–centroid distance = 3.838 (1) Å] and C—H⋯Cl hydrogen bonds link adjacent molecules into a chain structure along [101].In the title compound, [CuCl DOI: 10.1107/S160053681101333X/ng5145Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C=C double bond adopts an E configuration and the geometry around the amide N atom is almost planar rather than pyramidal (mean deviation of 0.0032 Å from the C3N plane). The packing of the molecules in the crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S1600536810050890/zl2334Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811004466/jj2075Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The (4-nitrophenyl)cyanamide anions act as monodentate ligands. There is one classical intermolecular O—H⋯N hydrogen bond and several C—H⋯O hydrogen bonds are also observed.In the title compound, [Ni(C DOI: 10.1107/S1600536812009890/bt5812Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Fe atom is slightly closer to the substituted cyclopentadienyl ring, with an Fe–centroid distance of 1.6374 (3) Å [1.6494 (3) Å for the unsubstituted ring]. The amide group is essentially coplanar with the substituted cyclopentadienyl ring, with an N—C(O)—C—C torsion angle of 2.3 (3)°.In the title compound, [Fe(C DOI: 10.1107/S1600536811026341/fj2441Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII ion is coordinated by four S atoms of two mnt2− ligands and exhibits a square-planar coordination geometry.The asymmetric unit of the title complex, (C DOI: 10.1107/S1600536812008161/tk5062Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


All the piperidine rings adopt chair conformations. In the crystal, the organic cations and the free chloride anions are linked into chains parallel to the a axis by N—H⋯Cl hydrogen bonds.The asymmetric unit of the title salt, (C DOI: 10.1107/S1600536812017151/rz2733Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination sphere of the Zn atom is based on an octahedron with a significant distortion towards trigonal prismatic, the twist angle being 45.58 (9)°. The crystal packing is formed by L and D antipodes arranged in layers disposed parallel to the b axis. Strong O—H⋯O hydrogen bonding exists between the hydroxy groups of the ligand and the nitrate anion.In the complex cation of the title compound, [Zn(C DOI: 10.1107/S1600536811048094/yk2030Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048094/yk2030Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812033004/lr2073Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the cation, the pyridinium rings attached to the central 1-azaniumyl-2-hydroxyethane fragment show an anti conformation, as indicated by the central C—C—C—C torsion angle of −178.1 (4)°, and they are inclined to one another by 25.7 (2)°. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds. There are also π–π contacts [centroid–centroid distance = 3.788 (3) Å] and a number of C—H⋯O and C—H⋯Cl interactions are present, consolidating the formation of a three-dimensional structure.The asymmetric unit of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812050817/su2540Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The O atoms define the equatorial plane whereas both N atoms are in axial positions. The mononuclear units are linked through O—H⋯O hydrogen-bonding interactions between the ethanol OH groups and the ethanolate O atom of a neighbouring complex into chains running parallel to [010].In the title complex, [Co(C DOI: 10.1107/S1600536810047100/wm2427Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII ion adopts a CuO2N3 distorted square-pyramidal coordination. An O—H⋯O hydrogen bond is formed between the methanol solvent molecule and the hydrazide O atom of the L               2− ligand.The title mononuclear complex, [Cu(C DOI: 10.1107/S1600536811054316/kp2374Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [Sn(CH3)2(NCS)2(C12H8N2)], is located on a twofold rotation axis in a distorted octahedral enviroment. The methyl groups are trans to each other [C—Sn—C = 175.7 (3)°], whereas the thiocyanate groups are cis to each other.The Sn DOI: Click here for additional data file.10.1107/S1600536812047691/bt6862Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecules are connected into a three-dimensional architecture by O—H⋯O hydrogen bonds. The perchlorate anion is disordered over two positions; the major component has a site-occupancy factor of 0.525 (19).In the structure of the title complex, [Ni(CH DOI: 10.1107/S1600536812007970/tk5060Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812007970/tk5060Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Pd—P and Pd—Cl bond lengths are 2.3366 (7) and 2.2966 (7) Å, respectively. The vinyl group is disordered over two sets of sites in a 0.696 (15):0.304 (15) ratio.In the title compound, [PdCl R-P2PdCl2 compounds, see: Ogutu & Meijboom 2] = 0.041                           wR(F                           2) = 0.105                           S = 1.07                           2723 reflections205 parametersH-atom parameters constrainedmax = 1.66 e Å−3                        Δρmin = −0.75 e Å−3                        Δρ                                 APEX2  global, I. DOI: 10.1107/S1600536811044795/fi2114Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by van der Waals interactions.The Sn atom in the title compound, [Sn(CH DOI: 10.1107/S160053681102561X/bx2356Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [Zn(C5H10NS2)2(C12H8N2)], exists in a distorted cis-octahedral N2S4 donor set defined by two chelating dithiocarbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C—H⋯S, C—H⋯π(ZnS2C) and π–π [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955 (13) Å] interactions.The Zn DOI: 10.1107/S1600536811012499/hb5835Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two 4,4′-sulfanediyldipyridinium cations and two non-coordinating chloride anions are connected via N—H⋯Cl hydrogen-bonding interactions into 20-membered rings, in the middle of which are situated the [NiCl4]2− complex anions. These rings are stacked in the b-axis direction. The Ni2+ cation is located on a twofold rotation axis, whereas the chloride anions and the 4,4′-sulfanediyldipyridinium cations occupy general positions.In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812050623/wm2703Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Pairs of CdII ions are bridged by two end-to-end inversely bridging μ-NCS-N:S thiocyanate groups, forming a two-dimensional network with the remaining two trans positions of the octahedrally coordinated CdII ions occupied by the N atoms of two neutral 2-methoxyaniline ligands. The crystal structure is stabilized by intralayer N—H⋯S hydrogen bonds.The structure of the title compound, [Cd(NCS) DOI: Click here for additional data file.10.1107/S1600536813010738/rz5058Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010738/rz5058Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In comparison with previous powder diffraction studies, anisotropic displacement parameters are additionally reported. The structure is composed of Se layers and two crystallographically independent Ag atoms. One Ag atom lies close to the Se layer and is surrounded by four Se atoms in a distorted tetrahedral coordination, while the second Ag atom lies between the Se layers and exhibits a [3 + 1] coordination defined by three close Se atoms, forming a trigonal plane, and one remote Se atom.The crystal structure of the low-temperature form of synthetic naumannite [disilver(I) selenide], Ag DOI: 10.1107/S1600536811028534/wm2506Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by intermolecular N—H⋯O, N—H⋯Cl, and O—H⋯Cl interactions, generating a three-dimensional network.In the title compound, [CoCl(CH DOI: Click here for additional data file.10.1107/S1600536813006442/bt6894Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two benzene rings of the biphenyl unit form a dihedral angle of 49.08 (11)°. In the crystal, molecules are linked into [100] chains by C—H⋯O hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536812018053/hb6749Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018053/hb6749Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, intermolecular N—H⋯O hydrogen bonds between the amino group of 2-amino-6-methyl-1,3-benzothiazole and the carboxylate group of 4-nitrobenzoate link these discrete mononuclear units into a one-dimensional supramolecular chain extending parallel to [100].In the title mononuclear complex, [Zn(C DOI: 10.1107/S1600536811022331/go2014Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4-methoxybenzenesulfonate anions act as bis-chelating and bridging ligands, forming a two-dimensional polymer parallel to (001), which is further linked into a three-dimensional network by weak C—H⋯O hydrogen bonds.In the title complex, [Na(C DOI: 10.1107/S1600536813025919/lh5648Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A zigzag chain structure is formed, extending along (001). Each chain is surrounded by three others which are interconnected through weak C=O⋯πpyridyl [O⋯centroid = 2.999 (3) Å] and πpyridyl–πpyridyl interactions [minimum ring centroid separation = 4.014 (2) Å], giving a three-dimensional framework. In the title polymer, [ZnCl DOI: 10.1107/S160053681104671X/zs2159Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810051342/bt5431Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the cluster, the CaII atom is connected to two S atoms of an Fe2S2 core [Ca—S = 2.7463 (8) and 2.7523 (8) Å]. No Fe—Ca bonds are formed [Fe⋯Ca = 3.6708 (6) and 3.5802 (6) Å]. There are five close C–H⋯O–C contacts in the crystal structure.Reaction between [Fe DOI: Click here for additional data file.10.1107/S1600536812048039/zl2517Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiII ion in the anion is coordinated by four S atoms of two maleonitriledithiolate ligands, and exhibits the expected square-planar coordination geometry.In the title compound, (C DOI: 10.1107/S1600536811027693/bh2362Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The layers are made up from chains of bicapped metal-centered trigonal prisms and zigzag Te chains. The metal site (site symmetry m2m) is occupied by statistically disordered Hf [78.1 (5)%] and Ti [21.9 (5)%]. In addition to the regular Te—Te pair [2.7448 (13) Å] forming the short base of the equilateral triangle of the trigonal prism, an intermediate Te⋯Te separation [2.9129 (9) Å] is also found. The classical charge balance of the compound can be described as [M4+][Te2−][Te22−][Te20] . The individual metal content can vary in different crystals, apparently forming a random substitutional solid solution (Hfx1-Tix)Te5, with 0.15 ≤ x ≤ 0.22.The group 5 mixed-metal telluride, Hf DOI: 10.1107/S1600536812006691/wm2588Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Z′ = 2) in the asymmmetric unit of the title compound, [CuBr(C16H32N4)]Br·2H2O. The title crystal consists of two [Cu(C16H32N4)]2+ cations, two Br− anions and four uncoordinated water molecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu—Br bond [2.9734 (11) and 2.9229 (11) Å in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N—H and O—H and Br−. In addition, there is a network of N—H⋯Br, O—H⋯Br and N—H⋯O hydrogen bonds, leading to the formation of a chain structure.There are two formula units ( DOI: 10.1107/S1600536811012852/bv2173Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In contrast to the first polymorph , the current study revealed monoclinic symmetry  for the second polymorph. The configuration of the tetrahedral molecule shows approximate sC symmetry. Strong O—H⋯O hydrogen bonds connect the molecules to infinite zigzag chains along [010], which are further connected by weak intermolecular C—H⋯O contacts into a three-dimensional network.The title compound, C DOI: 10.1107/S1600536811025505/wm2504Isup2.cdx            Supplementary material file. DOI: 10.1107/S1600536811025505/wm2504Isup3.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811025505/wm2504Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


I(C13H11N2O2)]n, the CuI atom exists in a trigonal–planar geometry that is defined by the C=C unit, the imidazole N atom and carboxylate O atoms from three different ozagrel ligands, resulting in the formation of a three-dimensional framework.In the coordination polymer, [Cu DOI: 10.1107/S1600536811015005/ng5155Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Fe atom is six-coordinated by two thiolate S atoms, two phosphane P atoms and two carbonyl C atoms in a distorted octahedral geometry. The average Fe—C(O) distance (1.771 Å) is relatively shorter than that of its parent hexacarbonyldiiron compound, and differs by 0.511 Å from the average Fe—P(Me)3 distance. The five-membered FeC2S2 chelate ring plane is close to being perpendicular to the P/Fe/P plane [86.5 (2)°].The title compound, [Fe(C DOI: 10.1107/S1600536811048574/kp2368Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The HgII ion shows a distorted tetrahedral geometry, being surrounded by two N atoms from two nnh ligands and two chloride ions. Due to the bridging role of nnh, the HgII atoms are connected into polymeric chains along the c axis, which are further interlinked via N—H⋯O and C—H⋯Cl hydrogen-bonding interactions, forming a three-dimensional network.The title complex, [HgCl N-donor heterocyclic groups, see: Zhang & Chen ] = 0.016wR(F2) = 0.038S = 1.091288 reflections96 parametersH-atom parameters constrainedmax = 0.52 e Å−3Δρmin = −0.57 e Å−3ΔρSMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812008884/hp2029Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligands form a slightly distorted square-planar coordination environment for the Rh(I) atom. An intramolecular P–Rh–P bite angle of 83.91 (2)° is observed. The dihedral angle between the P—Rh—P and the X—Rh—X planes (X is the centroid of a double bond) is 14.0 (1)°. The BF4 anion is disordered over two positions in a 0.515 (7):0.485 (7) ratio.The title compound, [Rh(C DOI: 10.1107/S1600536810039577/si2281Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cl—Cu—N angles of 90.55 (9) and 89.45 (9)° are close to ideal values. In the crystal, weak π–π stacking interactions are observed between inversion-related benzene rings [centroid–centroid distance = 4.0028 (6) Å].In the title compound, [CuCl DOI: 10.1107/S1600536812015486/bh2425Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SmIII ion is ten-coordinate, chelated by four O donor atoms of the Schiff base and two O atoms each from three bidentate nitrate groups, one of which is disordered over two sites in a 0.55 (7):0.45 (7) ratio.In the monomeric dinuclear title complex, [CuSm(C DOI: 10.1107/S1600536811031138/zs2129Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The planar Ni–salen moieties  form parallel stacks in the a-axis direction, with alternating Ni⋯Ni separations of 3.5339 (7) and 3.6165 (7) Å. In the crystal, there are weak intermolecular C—H⋯O interactions involving the dimethylformamide O and phenolate O atoms.In the title compound, [Ni(C DOI: 10.1107/S1600536811004818/tk2717Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [Pb(C10H6NO2)2], is N,O-chelated by two quinoline-2-carboxylate anions in a distorted Ψ-trigonal–bipyramidal environment; four atoms are connected to the PbII atom by regular coordination bonds. The structure also features two somewhat long Pb⋯O interactions [2.952 (3) and 3.014 (3) Å]. These long interactions give rise to a layer coordination polymer having the lead atom in a distorted Ψ-monocapped octahedral geometry.The Pb DOI: 10.1107/S1600536810027509/xu2797Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IICl2(C6H10N2)2], a pair of 3,4,5-trimethylpyrazoles act as monodentate ligands. Two Cl− anions are also bonded directly to the CoII atom, which has a CoN2Cl2 chromophore in a slightly distorted tetrahedral geometry. The two molecules in the asymmetric unit are related by an approximate twofold rotation roughly parallel to the a axis. The amino H atom in the pyrazole ring participates in weak N—H⋯Cl hydrogen bonds to form chains that propagate roughly parallel to the c axis.In the title compound, [Co DOI: 10.1107/S160053681003254X/ng5017Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title organotin dithiocarbamate, [Sn(C6H5)2(C11H14NS2)Cl], is penta-coordinated by an asymmetrically coordinating dithiocarbamate ligand, a Cl and two ispo-C atoms of the Sn-bound phenyl groups. The resulting C2ClS2 donor set defines a coordination geometry intermediate between square-pyramidal and trigonal-bipyramidal with a slight tendency towards the latter. The formation of close intramolecular C–H⋯Cl and C–H⋯S contacts precludes the Cl and S atoms from forming significant intermolecular contacts. The presence of C–H⋯π contacts leads to the formation of supramolecular arrays that stack along the b axis.The Sn DOI: 10.1107/S1600536810031636/su2203Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each of the two independent AuIII ions lies on an inversion center and has a distorted square-planar geometry. In the crystal, intermolecular C—H⋯Cl hydrogen bonds, π–π interactions [centroid–centroid distances = 3.5548 (16) and 3.7507 (16) Å] and Au⋯π interactions [Au⋯centroid distance = 3.6424 (10) Å] are effective in the stabilization of the structure, resulting in the formation of a supramolecular structure. Intramolecular N—H⋯N hydrogen bonds are present in the cation.In the title compound, (C DOI: 10.1107/S1600536811036208/hy2466Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [Sn(C4H9)2(C9H16NS2)2], is chelated by the two dithiocarbamate ions in a six-coordinate skew-trapezoidal-bipyramidal geometry. The two butyl groups are disordered over two positions in a 1:1 ratio.The Sn DOI: 10.1107/S1600536810027303/zs2050Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent SnIV atoms are bridged by the ligands, thereby forming a chain propagating in [010]. In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536811049713/hb6523Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging function of the Cl− anions leads to polymeric chains running along the a axis. One Hg—Cl bond is much longer than the other. In the crystal, O—H⋯O and weak C—H⋯Cl hydrogen bonds are observed.In the title compound, [HgCl DOI: 10.1107/S1600536812012986/xu5491Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bond lengths and angles are similar in both structures. The molecule in both structures lies on a crystallographic inversion center and both have an internal hydrogen bond. The title compound crystallizes in the space group P21/c (Z = 2), whereas compound (II) is in the space group P21/n (Z = 2) with a similar cell volume but different cell parameters. In both polymorphs, molecules are arranged in the layers but in contrast to the previously published compound (II) where the dihedral angle between the layers is 86.3°, in the title polymorph the same dihedral angle is 29.4°. The structure of (I) is stabilized by strong intramolecular O—H⋯O hydrogen bonding between the O—H group and the phenolate O atom.The title compound, [Ni(C DOI: 10.1107/S1600536811001383/br2156Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination polyhedron of the Cu2+ cation is a square-pyramid, with the aqua ligand at the apex. The compound exhibits a three-dimensional structure, which is is stabilized by O—H⋯O and O—-H⋯N hydrogen bonds and π–π interactions [centroid–centroid distance = 2.987 (3) Å].In the title compound, [Cu(C DOI: 10.1107/S1600536812021447/hg5211Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination polyhedron of the FeIII atoms can be described as distorted octahedral, with four Fe—O, one Fe—N and one Fe—Cl coordination bonds. The L ligand is not planar, the dihedral angle between the 2-(oxidomethyl)phenyl]imino and 4-nitro-2-(iminomethyl)phenolate planes being 48.54 (9)°. The solvent DMSO molecule is disordered over two orientations with equal occupancy.In the centrosymmetric dimeric title complex, [Fe DOI: 10.1107/S1600536812017424/br2198Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure displays O—H⋯O and N—H⋯O hydrogen bonds, which connect the components into an extended three-dimensional network.In the title complex, [Ni(C DOI: 10.1107/S1600536813032169/jj2177Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


II ion in the title complex, [PtCl2(C14H10N4)], is four-coordinated in a distorted square-planar environment by two N atoms of a chelating 2,3-di-2-pyridylpyrazine ligand and two chloride anions. The pyridyl ring coordinated to the PtII atom is inclined slightly to its carrier pyrazine ring [dihedral angle = 13.5 (1)°], whereas the uncoordinated pyridyl ring is inclined considerably to the pyrazine ring [dihedral angle = 54.3 (2)°]. The dihedral angle between the two pyridyl rings is 59.2 (2)°. In the crystal, the complexes are assembled through intermolecular C—H⋯N and C—H⋯Cl hydrogen bonds, forming a three-dimensional network. Intramolecular C—H⋯N and C—H⋯Cl hydrogen bonds are also present.The Pt DOI: 10.1107/S1600536811038906/tk2794Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central O atom is located on a crystallographic fourfold roto-inversion axis. Each CuII atom is coordinated by an N atom of a neutral monodentate 3-methyl-5-phenylpyrazole ligand, three Cl− anions, and one O2− anion. The geometry at each CuII atom is distorted trigonal–bipyramidal, with the three Cl− ions in the equatorial plane and the N and O atoms in the axial positions.The title compound, [Cu DOI: 10.1107/S1600536810053663/is2649Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It is isotopic with members of the series MCa10(PO4)7 , and is closely related to the structure of β-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octahedron (site symmetry 3.) and three PO4 tetrahedra (one with site symmetry 3.). The Ag+ cation is likewise located on a threefold rotation axis and resides in the cavities of the rigid [Ca10(PO4)7]− framework. It is surrounded by three O atoms in an almost regular triangular environment.Polycrystalline silver(I) decacalcium heptakis(orthophosphate), AgCa DOI: Click here for additional data file.10.1107/S1600536813007848/wm2726Isup2.rtvRietveld powder data: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The carboxylate groups of the nitrophthalate anion adopt a syn–anti bridging mode, linking adjacent CdII cations and forming a polymeric chain running along the a axis. Weak intra- and intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.In the title polymeric compound, [Cd(C DOI: 10.1107/S1600536811000468/xu5128Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging ligand, which is completed by crystallographic inversion symmetry, links the ZnII atoms into zigzag chains propagating in [101]. Within the ligand, the dihedral angle between the central benzene ring and terminal imidazole ring is 27.82 (13)°.In the title one-dimensional coordination polymer, [ZnCl DOI: 10.1107/S1600536810044429/hb5712Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by strong and weak intermolecular C—H⋯O hydrogen bonds, as well as weak centroid–centroid π-stacking interactions [centroid–centroid separation = 3.526 (3) Å].In either of the two independent molecules within the asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810032472/jj2044Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In addition to N—H⋯Cl hydrogen bonds creating infinite chains along [001], several C—H⋯Cl interactions are observed in the crystal structure.In the title compound, [PdCl DOI: 10.1107/S1600536812032308/bt5968Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging function of the Br− anions leads to a polymeric chain running along the c axis. Weak C—H⋯π interactions observed between adjacent chains are effective in the stabilization of the three-dimensional packing.In the crystal of the title polymeric compound, [CdBr DOI: Click here for additional data file.10.1107/S1600536812046636/xu5649Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The [Co(H2O)6]2+ cations form unconnected octahedra. Sulfate anions intercalated between cationic species connect them via N—H⋯O and O—H⋯O hydrogen bonds and electrostatic interactions.In the title compound, (C DOI: 10.1107/S1600536811027012/dn2704Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligands link the CdII ions into a ribbon-like structure running along [201]. One O atom of the nitrate anion is disordered over two positions with site-occupancy factors of 0.59 (2) and 0.41 (2).In the title compound, [Cd(NO DOI: 10.1107/S1600536811032697/hy2453Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title complex, [Ni(C16H13BrN2O2)(C5H5N)], is in a square-planar trans-N2O2 environment defined by the NO2 donor atoms of the tridentate hydrazone ligand and the monodentate pyridine ligand. The pyridine molecule forms a dihedral angle of 9.99 (11)° with the least-squares plane through the NiN2O2 atoms.The central Ni DOI: 10.1107/S1600536811029114/tk2766Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029114/tk2766Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the phenyl rings and the pyrazine ring are 9.56 (14) and 58.99 (14)° for one mdpp ligand and 9.34 (14) and 79.94 (15)° for the other.In the title complex, [Ir(C DOI: 10.1107/S1600536812006022/hy2507Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds. Two types of π–π stacking interactions occur between the TPTZ ligands of adjacent complexes [centroid-to-centroid distances = 3.760 (4) and 3.870 (3) Å].In the title compound, [Nd(NO DOI: 10.1107/S1600536811014589/ff2007Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two perchlorate anions are disordered over two sites with a refined occupancy ratio of 0.528 (19):0.472 (19).In the title compound, [Ni(C DOI: 10.1107/S1600536810051627/nk2079Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Coordinated and uncoordinated water molecules form O—H⋯O hydrogen bonds, leading to a three-dimensional framework.In the title compound, [Zn(C DOI: 10.1107/S1600536810017538/is2541Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A twofold rotation axis passes through the Co and S atoms, and through the mid-point of the C—C bond of the ethanediol molecule. In the crystal, the [CoSO4(C10H8N2)2] and C2H6O2 units are held together by a pair of O—H⋯O hydrogen bonds.The title compound, [Co(SO DOI: 10.1107/S1600536810050592/bt5423Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure consists of two-dimensional sheets constructed from centrosymmetric cyclic [V4O12]4− anions covalently bound through O to [Cu(imidazole)4]2+ cations. Adjacent sheets are linked by N—H⋯O hydrogen bonds and weak C—H⋯π interactions (H⋯centroid distances = 2.59, 2.66, 2.76, 2.91 and 2.98 Å into a three-dimensional supramolecular network. In the title inorganic–organic hybrid compound, [Cu DOI: 10.1107/S1600536812008252/hy2518Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812008252/hy2518Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One carboxylate dianion binds to a monoaqua-coordinated metal ion through the aliphatic carboxylate end and to the diaqua-coordinated metal ion through the aromatic carboxylate end; the other dianion binds in the reverse manner. Three of the four carboxylate ends of the two dianions are also engaged in bridging interactions; these lead to a layer structure parallel to (100). Adjacent layers are linked by O—Hwater⋯O hydrogen bonds into a three-dimensional network.The coordination polymer [Zn DOI: 10.1107/S1600536812003200/bt5797Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The components are evidently connected by hydrogen bonds but in the presence of heavy atoms water H atoms have not been located. The complex cation and one of the two independent iodide anions are located on a twofold axis.The title compound, [Pr(H DOI: 10.1107/S1600536811054663/rk2319Isup2.molSupplementary material file. DOI: 10.1107/S1600536811054663/rk2319Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII atom lies 0.065 (1) Å above the N2O2 plane and the Cu—O [2 × 1.945 (2) Å] and Cu—N bond lengths [1.968 (3) and 1.962 (3) Å] lie in expected ranges. The two aromatic ring planes make a dihedral angle of 85.48 (1)°.The molecular structure of the title compound, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812046387/aa2076Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure contains a four-coordinate Cd2+ ion in a distorted tetrahedral geometry, which lies on a crystallographic twofold rotation axis. The Cd2+ ion is bonded to two N atoms from two pyridine ligands and two carboxylate O atoms from two 5-amino-2,4,6-triiodoisophthalate anions. The Cd—O distances are 2.429 (5) and 2.305 (5) Å and the Cd—N distance is 2.236 (8) Å. The two carboxylate groups of individual 5-amino-2,4,6-triiodoisophthalate anions act as a bridge to the Cd2+ atoms. leading to a chain structure along the c axis.The hydrothermal reaction of cadmium(II) nitrate with 5-amino-2,4,6-triiodoisophthalic acid and pyridine in DMF solution leads to the formation of the title compound, [Cd(C DOI: 10.1107/S1600536810039498/si2296Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atom is five-coordinated in a trigonal–bipyramidal geometry by the tridentate chelating fctpy ligand and two Cl atoms.The title complex, [FeZn(C Cl2(C20H14N3)]·C2H3N = 0.050                           wR(F                           2) = 0.131                           S = 1.02                           4938 reflections317 parametersH-atom parameters constrainedmax = 0.77 e Å−3                        Δρmin = −0.40 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811024950/jh2301Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal-coordinated pyridine rings are almost coplanar, making a dihedral angle of 1.5 (2)°, while the two pendent pyrazine rings are arranged on the same side of the N—Ag—N line. Along the a axis, the mononuclear coordination units are stacked with π–π interactions between the pyridine rings [centroid–centroid distance = 3.569 (4) Å], leading to infinite chains. The chains are interconnected through intermolecular N(pyrazine)⋯π(pyrazine) interactions forming layers parallel to the ab plane [N⋯centroid = 3.268 (5) Å]. These layers are further stacked along the c-axis direction, furnishing a three-dimensional supramolecular framework with the tetrafluoridoborate anions embedded within the interstices.In the title mononuclear complex, [Ag(C DOI: 10.1107/S1600536811051270/zq2141Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two O and two S atoms are mutually cis to each other. The Cu—S and Cu—O bond lengths lie within the ranges of those found in related structures. The dihedral angle between the planes of the two chelating rings is 26.15 (6)°.In the title compound, [Cu(C DOI: 10.1107/S160053681101422X/bt5517Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The porphyrinate core exhibits a nearly planar conformation [maximum deviation = 0.027 (3) Å], with Cu—N distances of 1.997 (2) and 2.001 (2) Å. The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02 (8) and 77.02 (6)° with respect to the mean plane of the porphyrin fragment. The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy.In the title compound, [Cu(C DOI: 10.1107/S1600536811043698/lx2202Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


N—H⋯Cl and O—H⋯Cl hydrogen bonding leads to the formation of layers parallel to (100).The title salt, [Ru(Tp)(CH DOI: Click here for additional data file.10.1107/S1600536812042110/ng5297Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811011226/ru2002Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the PbII atoms is coordinated by one pyridine N and four carboxylate O atoms from the ptc trianion and a hydroxide O atom in a distorted octahedral geometry. The other PbII atom is five-coordinated by three carboxylate O atoms and two hydroxide O atoms in a distorted tetragonal–pyramidal geometry. Four neighbouring PbII atoms are bridged through two μ3-hydroxide ligands, forming the centrosymmetric Pb4(OH)2 core. The three-dimensional structure is further achieved through bridging carboxylate groups. There are also O—H⋯O hydrogen bonds between the hydroxide ligand and the carboxylate group.The asymmetric unit of the title coordination polymer, [Pb DOI: 10.1107/S1600536810049275/is2628Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, each palladium dimer is accompanied by a dichloromethane solvent molecule. Coordination of the carbonate and chelated phosphane ligands gives distorted square-planar environments at the Pd atoms. Important geometrical parameters include Pd—P(av.) = 2.2135 (4) Å, Pd—C(av.) = 1.9648 (16) Å and P—Pd—C = 84.05 (5) and 87.98 (5)°, and O—Pd—O′ = 60.56 (4) and 61.13 (4)°. Bonding with the carbonate O atoms shows values of 2.1616 (11) and 2.1452 (11) Å for the Pd—O—Pd bridge, whereas other Pd—O distances are slightly longer at 2.2136 (11) and 2.1946 (11) Å. One of the tert-butyl groups is disordered over two set of sites with an occupancy ratio of 0.723 (6):0.277 (6). Weak C—H⋯O interactions are observed propagating the molecules along the [100] direction. The title compound, [(μ DOI: Click here for additional data file.10.1107/S1600536812048702/yk2080Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The RbI and KI ions, which are disordered with respect to each other in a 1:1 ratio, occupy sites within the channels of the framework. The RbI/KI and MnII atoms occupy positions of 2 symmetry, as does one of the two P atoms. The RbI/KI site is surrounded by six O atoms [2.996 (2)–3.178 (4) Å] in an irregularly-shaped coordination environment. O—H⋯O hydrogen bonds between the water molecules and phosphate O atoms consolidate the crystal packing.The title manganese(II) substituted gallophosphate, K DOI: 10.1107/S160053681101258X/br2164Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex, two PdII atoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdII atom and a cyclometallated four-membered ring. The Pd2Cl2 unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.The asymmetric unit of the title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812051136/kj2217Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A chain along the c axis is formed by C—H⋯N hydrogen-bonding interactions and a weak π–π interaction is observed between the pyrimidine rings of two adjacent parallel chains [centroid–centroid distance = 3.722 (2) Å]. N—H⋯Cl, CN—H⋯Cl and N—H⋯O interactions also occur. In the title compound, (C DOI: 10.1107/S1600536811045995/vn2019Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Extensive intermolecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds lead to the stability of the crystal structure. Interactions between one C—H group of the 2,3-diaminopyridinium [+] cation and the aromatic ring of the pyridine-2,6-dicarboxylate (pydc) ligand (C—H⋯centroid distance = 2.78 Å) and π–π interactions between the + cations and between the + cation and the pydc ligand [centroid–centroid distances = 3.489 (5) and 3.694 (5) Å] are observed.In the centrosymmetric dinuclear complex anion of the title compound, (C DOI: 10.1107/S1600536811005629/hy2406Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by π–π stacking interactions between the pyridine and benzene rings of adjacent molecules, with a centroid–centroid distance of 3.829 (2) Å.In the title centrosymmetric dinuclear complex, [Eu DOI: 10.1107/S1600536810046131/hy2358Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The organic ligands link inorganic MnII nodes, forming a zigzag chain along the c axis.In the title compound, [Mn(C DOI: 10.1107/S1600536810045587/jh2224Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the pyridine and imidazole rings is 62.09 (12)°. The crystal structure is stabilized by N—H⋯Cl and C—H⋯Cl interactions involving the chloride anion. The pyridine N and the chloride atoms are not involved in intermolecular interactions.The title compound, C DOI: 10.1107/S1600536811053487/gg2070Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811053487/gg2070Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit consists of one complex cation, two hexafluoridophosphate anions and one diethyl ether solvent molecule in general positions. Although quite a large number of ruthenium complexes of the facially coordinating tridentate Tpm ligand have been structurally characterized, this is only the second one containing three pyridyl co-ligands. The average Ru—N(Tpm) distance is 2.059 (12) Å, while the average Ru—N(dmap) [dmap = 4-(dimethylamino)pyridine] distance is somewhat longer at 2.108 (13) Å. The orientation of the dmap ligands varies greatly, with dihedral angles between the pyridyl and opposite pyrazolyl rings of 14.3 (2), 23.2 (2) and 61.2 (2)°.In the title compound, [Ru(C DOI: 10.1107/S1600536813025245/nc2317Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the guanidinate-bridged THF-stabilized dimer the Li⋯Li separation is short at 2.479 (8) Å.In the dinuclear centrosymmetric title complex, [Li DOI: 10.1107/S1600536810046477/jj2061Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N-methylformamido substituent is twisted by 54.9 (1)° with respect to the naphthalene fused-ring system; the two fused-ring systems are themselves twisted by 70.3 (1)°.The molecule of the title compound, C DOI: 10.1107/S160053681104640X/xu5377Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104640X/xu5377Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom, which lies on a twofold rotation axis, displays a square-pyramidal coordination. The dihedral angles of the 1,10-phenanthroline ligand with respect to the furan rings of the carboxylate anions that are connected to the metal atom are 62.18 (11) and 88.27 (12)°.The polymeric title compound, [Cu(C DOI: 10.1107/S160053681203111X/ng5281Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the structure, centrosymmetrically related molecules are linked into dimers by pairs of C—H⋯N hydrogen bonds.In title compound, C DOI: 10.1107/S1600536813031152/rz5092Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031152/rz5092Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the Fe atoms is also coordinated to three carbonyl ligands and the other to two carbonyl ligands and one phosphane ligand [Ph2PP(O)Ph2]. Both Fe-atom geometries could be described as grossly distorted octahedral and the Ph2PP(O)Ph2 ligand lies trans to the Fe⋯Fe link.The dinuclear title compound, [Fe DOI: 10.1107/S1600536811042139/hb6442Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811008488/xu5157Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other two nitrate O atoms also bind to the Cu atom with long Cu—O distances [2.607 (4) and 2.853 (5) Å]. The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, [Cu(NO DOI: 10.1107/S1600536811055772/hy2498Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The cyclohexyl ring and one of the phenyl rings display 0.630 (7):0.37 (7) and 0.60 (2):0.40 (2) positional disorder, respectively. The dichloromethane solvent molecule displays 0.526 (4):0.474 (4) positional disorder. C—H⋯F hydrogen bonds stabilize the crystal packing.In the title compound, [Pt(C DOI: 10.1107/S1600536810028795/hy2330Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [Sn(CH3)2(C17H14N2O3)], is five-coordinated within a C2N2O donor set provided by the N,N,O-tridentate ligand and two methyl groups. The resultant coordination geometry is intermediate between trigonal-bipyramidal and square-pyramidal. In the crystal, supramolecular zigzag chains propagating along the c- axis direction are mediated by O—H⋯O hydrogen bonds, and weak C—H⋯π interactions consolidate the packing.The Sn DOI: 10.1107/S1600536811023506/hb5915Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two independent TbIII atoms in the structure, one of which is nine-coordinated, forming a monocapped NO8 square-antiprism and the other is eight-coordinated exhibiting a 4,4-bicapped NO7 trigonal–prismatic environment. The complex units are interconnected through the ptc3− anions acting in different coordination modes, resulting in a three-dimensional coordination polymer. The crystal structure features extensive O—H⋯O hydrogen bonds. The three-dimensional title coordination polymer, {[Tb For rel al. 2011. 2(C8H2NO6)2(H2O)5]·H2O = 0.020wR(F2) = 0.045S = 1.204912 reflections344 parametersH-atom parameters constrainedmax = 1.07 e Å−3Δρmin = −1.34 e Å−3ΔρRAPID-AUTO  global, I. DOI: 10.1107/S1600536812032898/bg2463Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each YbIII ion is eight-coordinated by two O atoms from two bridging L ligands, four O atoms from two chelating L groups and two N atoms from one chelating phen molecule in a distorted YbN2O6 dodecahedral geometry.In the centrosymmetric binuclear title complex, [Yb DOI: 10.1107/S1600536811036105/wm2528Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The unsubstituted ring is disordered over two positions with the major component being present 90 (1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the ethoxycarbonyl group form a conjugated π-system. These 13 atoms are coplanar within 0.09 Å.The title compound, [Fe(C For mod al. 2007, 2009 ▶.5H5)(C17H16N3O2)] = 0.025                           wR(F                           2) = 0.068                           S = 1.05                           3852 reflections261 parametersH-atom parameters constrainedmax = 0.23 e Å−3                        Δρmin = −0.16 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL  global, I. DOI: 10.1107/S160053681105238X/im2331Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central ZnII ion is six-coordinated by six N atoms from three phen ligands in a distorted octahedral geometry. An extensive O—H⋯O, O—H⋯N and O—H⋯Cl hydrogen-bonding network stabilizes the crystal structure.The asymmetric unit of the title salt, [Zn(C DOI: 10.1107/S1600536811000729/hg2778Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The imidazole and benzene rings make a dihedral angle of 73.1 (9)°. In the crystal, non-classical intermolecular C—H⋯Br hydrogen bonds link the ion pairs into a two-dimensional network.In the title compound, C DOI: 10.1107/S1600536810031934/om2353Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L ligands are bridging, forming a layered polymer parallel to (010). In the crystal, O—H⋯O and N—H⋯O hydrogen bonds connect the polymer layers into a three-dimensional network. In the title compound, [Ce(C H-benzimidazole-5,6-dicarboxylate complexes and for related structures, see: Gao et al. (C2H3O2)(H2O)] = 0.023wR(F2) = 0.054S = 1.052321 reflections203 parameters130 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.74 e Å−3Δρmin = −0.59 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812017503/lh5440Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The non-coordinating thione S atoms are each proximate to the SnIV atom [3.0136 (7) and 2.9865 (8) Å], giving rise to distortions from the ideal geometry as evident in the wide C—Sn—C bond angle of 139.06 (12) °. In the crystal, C—H⋯S interactions lead to the formation of a linear supramolecular chain along the b axis. The chains are aligned into layers by C—H⋯π interactions, and the layers stack along [001]. One of the ethyl groups is statistically disordered over two sets of sites.The title compound, [Sn(C DOI: 10.1107/S160053681105392X/hb6565Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The eight-coordinate [Mo(CN)8]3− unit exhibits a slightly distorted square-antiprismatic geometry. In the structure, the cations  and anions  are arranged alternately by N—H⋯O and O—H⋯N hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O—H⋯N hydrogen bonds, generating a three-dimensional supramolecular network.The crystal structure of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813002985/rz5039Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Three ethyl groups in the complex cation and the O atoms of the uncoordinated nitrate anion are disordered over two sets of positions . In the crystal, intermolecular N—H⋯O hydrogen bonds connect the complex cations into a zigzag chain along [010] and further N—H⋯O hydrogen bonds between the chains and the uncoordinated nitrate anions lead to layers parallel to (100).In the title compound, [Ni(NO DOI: 10.1107/S1600536811001000/hy2393Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The average terminal and bridging Ge—S bond lengths are 2.162 (7) and 2.267 (15) Å, respectively. The inorganic anions and organic cations are organized into a three-dimensional network by numerous N—H⋯S hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536812030334/gk2485Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A π–π interaction between adjacent pyridine rings [centroid–centroid distance = 3.773 (1) Å] further stablizes the dimer.In centrosymmetric dinuclear title compound, [Cd DOI: 10.1107/S1600536811037858/ng5223Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging atoms occupy equatorial positions in the coordination sphere of the metal atoms and complete the equatorial coordination planes with two ligand N atoms, the apical positions being occupied by thiocyanate N atoms. The crystal structure also features π–π stacking interactions involving the benzene rings with a centroid–centroid distance of 3.764 (4)Å. The crystal studied was a non-merohedral twin, with a refined BASF value of 0.203 (2)In the title compound, [Cu DOI: 10.1107/S1600536813024768/bx2448Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination environment of the UVI atom (N2O5) is distorted pentagonal–bipyramidal. In the crystal, all amino groups are involved in the formation of N—H⋯O and N—H⋯N hydrogen bonds, which link cations and anions into layers parallel to the ac plane.In the title compound, (CH DOI: 10.1107/S1600536812035465/cv5297Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


For the synthesis, structures and properties of dicyanamide coordination compounds, see: Wriedt & Näther 2011.2N3)2(C4H4N2)4] = 0.048wR(F2) = 0.097S = 1.012142 reflections161 parametersH-atom parameters constrainedmax = 0.51 e Å−3Δρmin = −0.52 e Å−3ΔρX-AREA  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812018363/bt5900Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


MnU8S17 crystallizes in the space group C2/m in the CrU8S17 structure type. The asymmetric unit is composed of the following atoms with site symmetries shown: U1 (1), U2 (m), U3 (m), Mn1 (2/m), S1 (1), S2 (1); S3 (m), S4 (m), S5 (m), S6 (m) and S7 (2/m). The three UIV atoms are each coordinated by eight S atoms in a bicapped trigonal–prismatic arrangement. The MnII atom is coordinated by six S atoms in a distorted octahedral arrangement.Single crystals of manganese(II) octauranium(IV) heptadecasulfide, MnU DOI: 10.1107/S1600536811030546/wm2512Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, a dimeric structure is observed as a result of N—H⋯Cl interactions between two symmetry-related molecules.The single-crystal X-ray structure analysis of [RuCl DOI: 10.1107/S1600536811043170/ff2034Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate ion and the N-heterocycle both function as bridges to link adjacent CdII atoms to result in the formation of a layer structure parallel to (010). The mid-point of the central C—C bond of the 4,4′-bipyridine ligand is located on an inversion center. In the crystal, the carboxylate ion is disordered over a twofold rotation axis in respect of its methyl group and the cyclopentane ring.In the title polymeric compound, [Cd(C R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid, see: Adhya et al. (C10H8N2)] = 0.054                           wR(F                           2) = 0.171                           S = 1.12                           2364 reflections150 parameters51 restraintsH-atom parameters constrainedmax = 1.03 e Å−3                        Δρmin = −1.27 e Å−3                        Δρ                                 RAPID-AUTO  global, I. DOI: 10.1107/S1600536811042656/xu5349Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methyl group is disordered over two equally occupied positions. In the crystal, N—H⋯O hydrogen bonds link the molecules into infinite C(4) chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811043315/bt5681Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043315/bt5681Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by N—H⋯O hydrogen bonds into a C(4) chain propagating in the b-axis direction.In the title compound, C DOI: 10.1107/S1600536811037123/hb6394Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811037123/hb6394Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both cations feature an intramolecular N—H⋯O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonds (three of them bifurcated). Weak C—H⋯O interactions also occur.The title compound, (C DOI: 10.1107/S1600536810021793/hb5489Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is coordinated by two terminal N-bonded selenocyanate anions and four pyridazine ligands within a slightly distorted octahedral geometry. The crystal structure contains two crystallographically independent pyridazine molecules in cavities of the structure, which are not coordinated to the metal centres. The structure is pseudo-C-centered due to the positioning of the discrete coordination complexes; the non-coordinating pyridazine molecules, however, break the C-centering. In the subcell, these ligands are disordered around centres of inversion, which do not coincide with the mid-point of the molecules.The reaction of nickel(II) nitrate with potassium selenocyanate and pyridazine leads to crystals of the title compound, [Ni(NCSe) DOI: 10.1107/S1600536812028036/vn2044Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The TiIV atom is coordinated in a distorted octahedral geometry by a tripodal ligand and two terminal chloride atoms. There are three coordination modes for the tripodal ligand distinguishable on the basis of their very different Ti—O bond lengths. For the terminal alkoxo ligand, the Ti—O distance is 1.760 (1) Å, the asymmetric bridge system has Ti—O bond lengths of 1.911 (1) and 2.048 (1) Å. The Ti—O bond length for the alcohol O atom is the longest at 2.148 (1) Å.The title complex, [Ti DOI: 10.1107/S1600536813031504/hg5360Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds.In the title complex, [Co(C DOI: 10.1107/S160053681102410X/lh5253Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The protonated dimethylamine contains one NH2               + group, resulting in a 1:1 supramolecular rotator–stator structure (CH3—NH2               +—CH3)(18-crown-6), through N—H⋯O hydrogen-bonding interactions between the ammonium group of the cation and the O atoms of the crown ether. In the crystal, all three components lie on a common crystallographic mirror plane normal to [010].The reaction of dimethylamine hydrochloride, 18-crown-6 and ferric chloride in ethanol yields the title compound, (C DOI: 10.1107/S1600536810020192/bh2286Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular N—H⋯O(carbonyl) hydrogen bond closes an S(6) ring. Supramolecular chains along [01-1] mediated by O—H⋯N(pyridine) hydrogen bonds feature in the crystal. A three-dimensional architecture is completed by π–π interactions occurring between the benzene ring and the two rings of the thienopyridine residue [centroid–centroid distances = 3.6963 (13) and 3.3812 (13) Å]. The F atom is disordered over the two meta sites in a near statistical ratio [0.545 (5):0.455 (5)].In the title compound, C DOI: 10.1107/S1600536812027195/hb6844Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812027195/hb6844Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure is built from triplets of edge-sharing O5–FeO6–O5 polyhedra, CuO4 quadrilaterals and PO4 tetrahedra. In the O5 polyhedra the Cu and Li positions are statistically occupied in a 0.551 (2):0.449 (2) ratio. Both FeO6 and CuO4 polyhedra exhibit Gray–green single crystals were obtained under high-pressure, high-temperature hydrothermal conditions. A refinement of atom occupancies gave the composition Li DOI: 10.1107/S1600536811011755/pk2312Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cd—I bond lengths of the central core are close and uniformly longer than the exocyclic Cd—I bond. The coordination sphere of the CdII atom is completed by two N atoms of a chelating methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate ligand, and is based on a square pyramid with the terminal I atom in the apical position. The three-dimensional crystal packing is stabilized by C—H⋯O and C—H⋯π interactions, each involving the pyridine ring.The complete binuclear molecule of the title compound, [Cd E)-N-(pyridin-2-ylmethylidene)arylamine ligands, see: Basu Baul, Kundu, Höpfl et al. 2] = 0.022wR(F2) = 0.050S = 1.003738 reflections191 parametersH-atom parameters constrainedmax = 0.58 e Å−3Δρmin = −1.04 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  general, I. DOI: 10.1107/S160053681302905X/hg5357Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The deprotonated L               2− ligands adopt bridging coordination modes. The central TbIII atom is bridged by L               2− ligands, forming a polymeric chain parallel to the a axis. Supramolecular O—H⋯N interactions link the chains, building up a layer parallel to (010). O—H⋯O hydrogen bonds also occur. Two of the pyridine rings are disordered by rotation around the central C—N direction with occupancy ratios of 0.53 (1):0.47 (1).The title complex, [Tb DOI: 10.1107/S1600536811038487/dn2711Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV(C44H28N4)(CNO)(OH)], exhibits substitutional disorder of the OH− and OCN− axial ligands. Thus, the cyanato-O ligand and the hydroxyl group bonded to the central SnIV atom share statistically the axial position. The SnIV ion is hexacoordinated by the four N atoms of the pyrrole rings of the tetraphenylporphyrin (TPP) and the O atoms of the two disordered OCN− and OH− axial ligands. The equatorial tin–pyrrole N atom distance (Sn—Np) is 2.100 (2) Å and the axial Sn—O(OCN) or Sn—O(OH) bond length is 2.074 (2) Å.The title complex, [Sn DOI: 10.1107/S1600536811021544/dn2696Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In each molecule, the SnIV atom is four-coordinate and possesses a distorted tetrahedral geometry. One of the phenyl rings of one molecule is equally disordered over two positions.The title compound, [Sn(C DOI: 10.1107/S160053681005107X/su2232Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: