Two Cl atoms adopt a trans arrangement to the two pyridyl N atoms, while the third Cl atom and the O atoms occupy the axial site. The Rh—Cl bonds that are trans to the pyridyl N atoms are slightly longer than the Rh—Cl bond distance trans to the O atom.In the title compound, [RhCl DOI: 10.1107/S1600536811027644/om2440Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The overall symmetry of the anion is m2m. The {Mo4O14(OH)} core is composed of two pairs of confacial bioctahedral {Mo2O9} units with two μ4-O atoms which have been characterized as hydroxyl groups. The anions are further interconnected by potassium cations, forming a three-dimensional network structure with the uncoordinated water molecules occupying the channels. The structure is further stabilized by O—H⋯O hydrogen bonding.The title arsenatomolybdate, K DOI: 10.1107/S1600536810054176/fi2098Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two dppm ligands, two dpp ligands and two trifluoroacetate anions bridge four metal atoms, forming a centrosymmetric tetranuclear complex. Intramolecular C—H⋯O hydrogen bonds and a weak π–π interaction [centroid–centroid distance = 3.9804 (13) Å] are also observed.In the cation of the title compound, [Ag DOI: 10.1107/S1600536811045466/rz2658Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Br aroms are trans-disposed as a result of symmetry.The title complex, [RuBr DOI: Click here for additional data file.10.1107/S1600536813000871/hy2613Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


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 compound, [Ni(C DOI: 10.1107/S1600536810031065/bt5315Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The HgII atoms exist in a linear coordination geometry [C—Hg—C = 178.9 (2) and 180°] formed by two carbene C atoms from the imidazole rings. In the crystal, the cations and anions are connected via C—H⋯F hydrogen bonds, forming a three-dimensional network.The asymmetric unit of the title complex, [Hg(C N-heterocyclic carbenes, see: Herrmann 2](PF6)2                         = 0.032                           wR(F                           2) = 0.087                           S = 1.06                           7062 reflections559 parametersH-atom parameters constrainedmax = 1.71 e Å−3                        Δρmin = −2.05 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL  global, I. DOI: 10.1107/S1600536811032235/is2765Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Moreover, intermolecular C—Cl⋯Cl—C halogen interactions (Cl⋯Cl = 3.442 Å) are found between the building blocks.In the crystal structure of the title compound, [ZnCl DOI: 10.1107/S1600536811020447/nc2231Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The organic cation is essentially planar, with a maximum deviation of 0.013 (1) Å. In the crystal structure, the ions and molecules are linked into a pseudo-layered three-dimensional supramolecular network via O—H⋯O and N—H⋯O hydrogen bonds. Weak intermolecular π–π interactions further stabilize the crystal structure [centroid–centroid distance = 3.5231 (4) Å].In the title compound, (C DOI: 10.1107/S1600536810026693/hb5536Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligands are coordinated in a chelate fashion, forming three five-membered rings. In the crystal, translationally related complex molecules are organized into columns along [001] via C—H⋯O hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536811043303/hy2479Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is characterized by a C—H⋯O hydrogen-bonded ribbon structure approximately parallel to [10In the title compound, [Zn(C DOI: 10.1107/S1600536811019854/ng5159Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry around gold is intermediate between linear-dicoordinate and tetrahedral with an S—Au—S angle of 161.49 (3)°.In the title compound, [Au(C DOI: 10.1107/S1600536810029326/dn2589Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ReI atom is coordinated by two N atoms from a 2-phenyl-5-(pyridin-2-yl-κN)-1,3,4-oxadiazole (L) ligand, three C atoms from three carbonyl groups and a Br atom in a distorted octahedral geometry. The three rings in L are almost coplanar , and the carbonyl ligands are coordinated in a fac arrangement.In the title rhenium(I) complex, [ReBr(C DOI: 10.1107/S1600536810052360/nk2078Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The FeII cation is located on a twofold rotation axis and is O,O′-chelated by two 2-{5-[(2-carboxyphenyl)sulfanylmethyl]-2,4-dimethylbenzylsulfanyl}benzoate anions and further coordinated by two pyridine ligands in a distorted octahedral geometry. In the anion, the terminal benzene rings are oriented at dihedral angles of 63.81 (14) and 84.50 (14)° with respect to the central benzene ring. Intermolecular O—H⋯O and C—H⋯O hydrogen bonding is present in the crystal structure.The title compound, [Fe(C DOI: 10.1107/S1600536810054619/xu5127Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The distribution of Mo—O bond lengths in the Lindqvist isopolyanion is consistent with other structures containing the same unit. In the crystal, the cations and anions are linked by C—H⋯O interactions.In the title compound, [Co(C DOI: 10.1107/S1600536810020775/hb5476Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the 3-methylanilinium cations link with the complex antimonate anions and Cl− anions via N—H⋯Cl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811049087/xu5391Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal studied was a non-merohedral twin with the minor domain being in a 15.8 (1)% proportion.The Sn(IV) atom in the title compound, [Sn(C DOI: 10.1107/S1600536810048300/hg2755Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each purinate ligand chelates two ZnII cations through two imidazole N atoms of the purinate anion ligand, leading to the formation of a three-dimensional network.In the title compound, [Zn(C DOI: 10.1107/S1600536812011245/vn2034Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angles formed by the pyridine rings of the bpy ligands are 8.86 (12) and 10.12 (14)°. In the crystal, the cations and anions are linked by C—H⋯F hydrogen bonds into a three-dimensional network.In the cation of the title compound, [Ru(CH DOI: 10.1107/S1600536811053864/rz2684Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule contains two fused six-membered rings, which both display a chair conformation. In the crystal, molecules are linked into chains propagating along the b axis by intermolecular O—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811004454/fj2393Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging of S atoms of the ligands leads to the formation of a one-dimensional structure along [001].In the title compound, [Cd(C DOI: 10.1107/S1600536810043977/hy2367Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The [Zn(H2O)6]2+ cation is connected with the one-dimensional tubelike chain through weak classical O—H⋯O and O—H⋯N hydrogen-bonding interactions as well as through electrostatic interactions. One of the two uncoordinated water molecules exhibits half-occupancy.The title coordination polymer, {[Zn(H DOI: 10.1107/S1600536811022835/br2168Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the discrete mononuclear units are linked into a three-dimensional network via O—H⋯O and N—H⋯O hydrogen bonds. C—H⋯O interactions are also observed.In the title complex, [Ni(C DOI: 10.1107/S1600536811031072/ds2128Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent Zn2+ cations, with a separation of 8.807 (2) Å, are linked by two 3-(3-pyridyl)benzoate ligand bridges, generating an infinite ribbon extending parallel to [001].In the title compound, [Zn(C For a s al. 2008.       12H8NO2)2] = 0.042                           wR(F                           2) = 0.095                           S = 1.08                           3616 reflections280 parametersH-atom parameters constrainedmax = 0.26 e Å−3                        Δρmin = −0.29 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811021404/ng5177Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete L ligand is generated by crystallographic inversion symmetry and serves to bridge the cobalt ions into a chain propagating in [1In the title coordination polymer, {[Co(CHO DOI: 10.1107/S160053681105505X/hb6531Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each 5-aminoisophthalate anion acts as a μ3-bridge linking symmetry-related ZnII ions into a layered polymeric structure parallel to (100). The asymmetric unit also comprises a disordered crystal water molecule located on an inversion centre with 0.25 occupancy. In the crystal, N—H⋯O hydrogen bonds form a three-dimensional network.In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811050045/kp2352Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050045/kp2352Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular C—H⋯O hydrogen bond occurs while the components are linked by an N—H⋯O interaction. The crystal packing is stablized by O—H⋯N hydrogen bonds and C—H⋯O interactions.In the title compound, C DOI: 10.1107/S1600536812011750/gg2077Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812011750/gg2077Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The methyl-substituted thiophene arm and the pyridine ring are connected to the metal cation through N atoms to form a six-membered chelate ring with a boat conformation, making the complex stable.In the title compound, [PdCl DOI: Click here for additional data file.10.1107/S1600536812049240/bh2466Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two six-membered chair chelate rings in the complex cation are in an anti conformation with respect to each other. The Cr—N bond lengths range from 2.0831 (18) to 2.0917 (19) Å, and the Cr—Cl bond lengths are 2.3148 (6) and 2.3135 (6) Å. The perchlorate anions have slightly distorted tetrahedral geometries. Weak intermolecular hydrogen bonds involving the tn ligand NH groups as donors, and chloride ligands and anion O atoms as acceptors are observed.In the title compound, [CrCl DOI: 10.1107/S1600536811006349/nk2086Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the centrosymmetric dinuclear title compound, [Sn2(C4H9)4(C7H3NO4)2(H2O)2], exists in a trans-C2SnNO4 pentagonal–bipyramidal geometry. There are two half-molecules in the asymmetric unit that are completed by inversion symmetry. The crystal studied was a non-merohedral twin with a ratio of 47.3 (1)% for the minor twin component. Bond dimensions are similar to those found in the tetragonal polymorph . O—H⋯O hydrogen-bonding interactions stabilize the crystal packing.The Sn al. 1989. Acta Cr DOI: 10.1107/S1600536811002935/bt5468Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The chains, made up from Cu—Cl—Cu—N—Cu linkages, are aligned parallel to the c axis. This architecture is further stabilized by a number of N—H⋯Cl hydrogen bonds involving the protonated charge-compensating dimethylamine cations and chloride atoms.The crystal structure of the title complex, {(C DOI: 10.1107/S1600536811050537/zb2020Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The side chain of the ligand is disordered over two sets of sites in a 0.655 (12):0.345 (12) ratio. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, generating [100] chains.In the title compound, [Zn(NCS) DOI: 10.1107/S1600536811019945/hb5892Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three CrIII atoms form vertices of a nearly equilateral triangle. Each of the six acetate carboxylate groups bridges a Cr—O—Cr fragment. In the crystal, the molecules interact with methanol solvent molecules through O—H⋯O and O—H⋯N hydrogen bonds, forming a two-dimensional hydrogen-bonded network parallel to (100).In the crystal structure of the title complex, [Cr DOI: 10.1107/S1600536811039699/ds2137Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each pair of double-stacked dications is surrounded by a ring of ten nitrate anions. An intricate three-dimensional N---H...O and N---H... hydrogen-bonding network exists in the crystal structure.The crystal structure of the title compound, C DOI: 10.1107/S1600536811042929/lr2031Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811042929/lr2031Isup3.mol            Supplementary material file. DOI: 10.1107/S1600536811042929/lr2031Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Its coordination sphere is completed by a chloride ligand and 2-(sec-butyliminomethyl)quinoline. The dihedral angle between the η6-arene ring and the quinoline Schiff base is 45.64 (9)°. The sec-butyl substituent and the PF6               − anion are disordered over two positions with ratios of 0.595 (11):0.405 (11) and 0.752 (8):0.248 (8), respectively.In the title compound, [RuCl(C DOI: 10.1107/S1600536810033003/bt5317Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The I atom and one of the O atoms from a DME ligand lie in the axial positions while the other O atoms lie in the basal plane. The other iodide anion is outside the complex cation.In the title complex, [CaI(C DOI: 10.1107/S160053681200075X/hy2505Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Ce atom is in a pseudo-bicapped square-antiprismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihydroxybenzoate (DHB) ligands and the other two from a nitrate anion. π–π stacking interactions between phen and DHB ligands [centroid–centroid distances = 3.513 (3) and 3.762 (2) Å] and phen and phen ligands [face-to-face separation = 3.423 (7) Å] of adjacent complexes stabilize the crystal structure. Intramolecular O—H⋯O hydrogen bonds are observed in the DHB ligands.The mononuclear title complex, [Ce(C DOI: 10.1107/S1600536810049755/kj2166Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A three-dimensional supramolecular network is built from the uncoordinated nitrate anion, the water molecule and the cation through O—H⋯O hydrogen bonds.In the title compound, [Ag(C DOI: 10.1107/S1600536810020945/ng2780Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete octamolbydate unit is generated by crystallographic inversion symmetry. The polyhedral connectivity leads to [100] chains in the crystal and N—H⋯O and N—H⋯ hydrogen bonds help to consolidate the packing. In the hydrothermally prepared title compound, [Mo DOI: 10.1107/S1600536810025286/hb5511Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Co atom is 0.0187 (8) Å out of the mean plane of the four equatorial N atoms. The structure has an O⋯H⋯O bridge, which is very common in cobaloxime derivatives, with O⋯H distances of 1.24 (2) and 1.25 (2) Å. In the title compound, [Co(C DOI: 10.1107/S1600536811051397/vn2023Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tolyl substituents are twisted compared to the central aromatic ring system of the porphyrin, similar to what is seen in previously published structures of this molecule [Dastidar & Goldberg  and 60.40 (6)°.In the title complex, [Zn(Cberg 1996. Acta Cr DOI: 10.1107/S1600536810019963/nk2033Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The presence of a PF6               − anion  promotes the existence of an extensive network of weak C—H⋯X  interactions.The title compound, [RuBr(C DOI: 10.1107/S1600536811002662/cv5041Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry is intermediate between square-pyramidal and trigonal-bipyramidal, with a leaning towards the latter. The presence of close intramolecular C—H⋯S contacts preclude the S atoms from forming significant intermolecular interactions. Rather, molecules are consolidated in the crystal structure by C—H⋯π interactions.The Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536810033039/hg2701Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the pyrazine ring and the coordinated pyridine rings are 13.3 (2) and 24.8 (2)°; those between the pyrazine ring and the uncoordinated pyradine rings are 31.3 (2) and 44.2 (2)°. In the crystal, inversion dimers linked by pairs of weak C—H⋯Br hydrogen bonds occur.In the title compound, [ZnBr DOI: 10.1107/S1600536810027820/hb5552Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This compound is isostructural with KCuFe(PO4)2 [Badri et al.  iron(III) bis(phosphate), RbCuFe(PO al. 2011, J. Soli DOI: 10.1107/S1600536813019569/br2226Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, O(water)—H⋯O and C—H⋯O hydrogen bonds form a three-dimensional-network.In the title compound, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812044625/qm2087Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The six-membered ring exhibits a boat conformation, with torsion angles of 46.2 (2) and 46.5 (3)° for a double-bond and the two attached Csp               3 atoms. The Fe atom is coordinated to all four of the diene C atoms, with bond lengths between 2.041 (2) and 2.117 (2) Å. The Fe(CO)3 tripod adopts a conformation with one CO ligand eclipsing the Csp               3—Csp               3 single bond.In the title compound, [Fe(C RMs), see: Choi & Otterbein (CO)3] = 0.031                           wR(F                           2) = 0.078                           S = 1.06                           3538 reflections212 parametersH-atom parameters constrainedmax = 0.66 e Å−3                        Δρmin = −0.62 e Å−3                        Δρ                                 COLLECT  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811041298/rk2295Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The O atom of the nitrate anion occupies the apical site. The crystal structure features intramolecular N—H⋯O hydrogen bonds.Copper nitrate in methanol solution cleaves the N—C DOI: 10.1107/S160053681201241X/xu5488Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angles between the central pyridine ring and adjacent pyrazole rings in the ligand are 1.3 (2) and 3.2 (2)°; the dihedral angles between the pyrazole rings and their pendant phenyl rings are 42.0 (3) and 16.1 (2)°. The conformation of the anionic complex ion is supported by an intramolecular N—H⋯O hydrogen bond. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds occur. The pyridinium cation forms an N—H⋯N hydrogen bond.In the title compound, (C DOI: 10.1107/S1600536811022653/hb5891Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022653/hb5891Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Classical O—H⋯O hydrogen bonds link both methanol solvent molecules with the nitrate anion.In the title compound, [Co(C DOI: 10.1107/S1600536810032241/si2285Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoII atom (site symmetry 2) is six-coordinate in a distorted octahedral configuration bonded by two N and two O atoms from two (2-aminophenyl)methanol ligands and two O atoms from the two nitrate anions. Crystal packing is stabilized by intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen-bonding interactions.The asymmetric unit of the title compound, [Co(NO DOI: 10.1107/S1600536810032381/jj2052Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal complex lies on a fourfold rotation axis that passes through the Os, N, O and Cl atoms. The NO and Cl ligands are disordered in an 0.511 (12):0.486 (12) ratio.The title compound, [OsCl(NO)(C DOI: 10.1107/S1600536811001401/ng5100Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Zn ion is coordinated by three carboxylate O atoms and one O atom from the bridging hydroxide ion, displaying a slightly distorted tetrahedral stereochemistry [overall Zn—O range = 1.875 (3)–1.987 (2) Å]. An intramolecular hydrogen bond involving the hydroxide H atom and a carboxylate O-atom acceptor is also present in the complex unit. The bridging benzene-1,3,5-tricarboxylate anions generate a three-dimensional framework structure. In the asymmetric unit of title coordination polymer, {(C DOI: 10.1107/S1600536811044485/zs2153Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044485/zs2153Isup4.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the components are linked by N—H⋯Cl hydrogen bonds. The ZnII atom has an approximately tetrahedral coordination geometry.The reaction of 1-bromomethyl-1,4-diazoniabicyclo[2.2.2]octane bromide, zinc chloride and hydrochloric acid in water yields the title compound, (C DOI: 10.1107/S1600536811032430/qm2022Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetrahedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O—H⋯N hydrogen bonds, which are formed by the O—H donor group from methanol and the N-atom acceptor from a cyanide ligand.The title centrosymmetric complex, [Cu DOI: 10.1107/S1600536810029545/su2196Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII cation is six-coordinated in a distorted octahedral geometry formed by two N atoms from the 5,5′-dimethyl-2,2′-bipyridine ligand and four bridging Br− anions. The bridging function of the Br− anions leads to a polymeric chain running along the c axis.In the crystal of the title polymeric compound, [CdBr DOI: 10.1107/S1600536812023860/xu5547Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxylate in a cis-SnNOCl4 octahedral geometry. The cation is linked to the anion by an N—H⋯O hydrogen bond.In the reaction of pyridine-2-carboxylic acid and stannic chloride in methanol, one equivalent of the carboxylic acid is protonated at the amino site and is also esterified, yielding the title salt, (C DOI: 10.1107/S1600536811001930/si2326Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


We confirm the previous studies, but to modern standards of precision and with all H atoms located. The central Ni atom (site symmetry A preliminary X-ray study of the title molecular salt, [Ni(CH DOI: 10.1107/S1600536810026668/hb5527Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The independent Ge—O distances within the central Ge2O2 ring, which is essentially planar (r.m.s. deviation = 0.039 Å), are 1.7797 (8) and 1.8568 (8) Å. The germanium centres adopt a distorted trigonal–bipyramidal geometry, being coordinated by the two O atoms and by one bidentate and one monodentate amidinate ligand (three N atoms). One N-isopropyl group is disordered over two positions; these are mutually exclusive because of ‘collisions’ between symmetry-equivalent methyl groups and thus each has 0.5 occupancy.The title compound, [Ge DOI: 10.1107/S1600536813032133/zl2570Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


There are no close C—H⋯Cl contacts.The two molecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536812014924/bt5833Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014924/bt5833Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two benzene rings are nearly coplanar [dihedral angle = 3.48 (5)°]. The crystal structure is stabilized by N—H⋯O hydrogen bonds, which link the molecules into chains along the b axis.In the molecular structure of the title compound, C DOI: 10.1107/S1600536811048756/bq2320Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048756/bq2320Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure is composed of one K+ cation and a polyborate 1               ∞[B5O7(OH)2]− anion, which consists of two six-membered rings linked by a common BO4 tetrahedron. The [B5O7(OH)2]− units are linked together through two exocyclic O atoms to neighbouring units, forming a helical chain structure extending parallel to [010]. Adjacent chains are further connected into a three-dimensional structure by K—O bonds and weak O—H⋯O hydrogen-bond interactions.The title compound, K[B DOI: 10.1107/S1600536811043807/fi2113Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the biphenyl portion of the molecule, the aromatic rings are inclined by 37.8 (2)°.Iodine adds across both triple bonds of 4,4′-bis(prop-2-ynyloxy)biphenyl, yielding the 4,4′-bisbiphenyl title compound, C DOI: 10.1107/S1600536811003874/jh2264Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811040402/bg2419Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxylate in a cis-SnNOCl4 octahedral geometry. The cation is linked to the anion by an O—H⋯O hydrogen bond.In the reaction of pyridine-2-carboxylic acid and stannic chloride in the presence of 2-methyl-8-hydroxyquinoline, the 2-methyl-8-hydroxyquinoline is protonated, yielding the title salt, (C DOI: 10.1107/S1600536811001942/si2327Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The L               2− ligands bridge the Mn atoms into an infinite chain motif along [100]; the chains are further interlinked by O—H⋯O hydrogen bonds into a three-dimensional supramolecular net.In the title coordination polymer, [Mn(C DOI: 10.1107/S1600536811025967/ng5191Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation has crystallographically-imposed C2 symmetry with the metal atom in an almost linear coordination environment [N—Ag—N = 177.01 (17)°]. The crystal structure displays N—H⋯O and C—H⋯O hydrogen-bonding interactions.The synthesis of the title salt, [Ag(C DOI: 10.1107/S1600536811021799/mw2006Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular Bi⋯N nonbonding interaction is observed in the distorted trigonal triarylbismuth coordination of the title compound. The title compound, [Bi(C DOI: 10.1107/S1600536810043655/si2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII ion is six-coordinated in a slightly distorted octahedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An intermolecular C—H⋯S hydrogen bond stabilizes the crystal structure.The title compound, [Cd(NCS) DOI: 10.1107/S1600536812002772/bt5786Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The anions, cations and uncoordinated water molecules are linked by O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional network. One of the five cations is disordered with respect to the ethylene portion in a 1:1 ratio.In the cerate(IV) anion of the title salt, (C DOI: 10.1107/S1600536810021811/xu2776Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the cation and anion are linked to the methanol molecules by O—H⋯O and N—H⋯O hydrogen bonds.In the disolvated title salt, (C DOI: 10.1107/S1600536811031461/xu5283Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing exhibits short intermolecular Ni⋯Ni distances of 3.273 (3) Å.In the title complex, [Ni(C DOI: 10.1107/S1600536810046088/cv2792Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination polyhedron shows a slightly distorted Archimedean square-antiprismatic geometry. The crystal packing is stabilized by weak C—H⋯O interactions.In the title compound, [Hf(C DOI: 10.1107/S1600536810030400/bg2349Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Three Cl atoms of the [ZnCl4]2− tetrahedron act as acceptors in N—H⋯Cl hydrogen bonds. The hydrogen bonds, both of which are bifurcated, lead to the formation of a three-dimensional network. Within the network, intermolecular π–π stacking interactions with a centroid–centroid distance of 3.5911 (7) Å arrange the 4-(dimethylamino)pyridinium cations into antiparallel dimers.In the title compound, (C DOI: 10.1107/S1600536811005010/rk2262Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two Ph3P ligands are in trans positions, defining a P—Pd—P angle of 171.78 (5)°, while the pyrimidinyl and bromide ligands are trans to each other [C—Pd—Br = 174.63 (14)°].In the title complex, [PdBr(C DOI: 10.1107/S1600536811049348/bg2434Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯N and N—H⋯O hydrogen bonds are observed in the crystal structure.In the crystal of the title compound, C DOI: 10.1107/S1600536811034982/im2310Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation adopts a chair conformation. The crystal structure is stabilized by intermolecular N—H⋯Cl hydrogen bonds.In the complex anion of the title compound, (C DOI: 10.1107/S1600536810047689/bx2322Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is controlled by C—H⋯O and O—H⋯O hydrogen-bonding interactions. The crystal employed in this study proved to be a two-component twin around (0In the title compound, (C DOI: 10.1107/S160053681003895X/kj2157Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The InIII ion is six-coordinated and forms a quasi-regular octahedral arrangement. In the crystal, alternating layers of cations and anions are arranged parallel to (10via intra- and intermolecular N—H⋯O, O—H⋯Cl, C—H⋯O and N—H⋯Cl hydrogen bonds, forming a complex three-dimensional network. Additional stabilization within the layers is provided by weak intermolecular C—H⋯Cl interactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811007355/pv2386Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N—H⋯S hydrogen-bonding interactions occur, resulting in a three-dimensional polymeric structure. The apical 2-methylbenzimidazole ring and its symmetry-related counterpart are arranged in an antiparallel manner with a centroid–centroid separation of 3.6050 (14) Å, indicative of a π–π interaction.The title compound, [Cd DOI: 10.1107/S1600536810042443/pk2278Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the aromatic rings is 45.76 (11)°. In the crystal structure, intermolecular C—H⋯O and O—H⋯O hydrogen bonds link the molecules into chains parallel to the a axis. No π–π stacking interactions are observed in the crystal structure.In the title compound, C DOI: 10.1107/S1600536811022264/rz2605Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022264/rz2605Isup3.cdx            Supplementary material file. DOI: 10.1107/S1600536811022264/rz2605Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the central and terminal benzene rings is 39.7 (1)°. In the crystal, the compound is disposed about a crystallographic mirror plane parallel to the ac plane passing through the two central C atoms. The molecules are stacked in columns along the c axis through π–π interactions, the shortest centroid–centroid distance being 3.872 (3) Å.The title compound, C DOI: 10.1107/S1600536811030431/is2759Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal atoms are linked by the dianions into zigzag chains running parallel to [11The asymmetric unit of the title compound, {[Ni(C DOI: 10.1107/S1600536810045794/rz2513Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The polyhedral connectivity leads to [100] chains containing alternating centrosymmetric four-rings and eight-rings, with a short d               10⋯d               10 Ag⋯Ag interaction [2.8846 (4) Å] across the latter. The nitro groups are oriented at dihedral angles of 21.2 (5) and 64.3 (3)° with respect to the aromatic ring of the ligand. A C—H⋯O interaction occurs in the crystal.In the title coordination polymer, [Ag DOI: 10.1107/S1600536811022483/hb5898Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other –SO3 unit binds to yet another SrII atom. The four coordinated water molecules are monodentate but one is disordered over two positions in a 1:1 ratio. The μ3-bonding mode of the dianion generates a polymeric three-dimensional network; the network is consolidated by O—H⋯O hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.In the crystal structure of the polymeric title compound, {[Sr(C DOI: 10.1107/S1600536811047593/xu5382Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810049081/pk2286Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N—H⋯O hydrogen-bonding interactions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supramolecular structure. In the title complex, [Zn H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)benzoate (HNCP) ligand, see: Yongqin et al. (C20H11N4O2)2]·4H2O = 0.056                           wR(F                           2) = 0.139                           S = 1.02                           3783 reflections316 parametersH-atom parameters constrainedmax = 0.94 e Å−3                        Δρmin = −0.66 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811040062/bg2420Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811022598/mg2119Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming C(4) chains propagating in [001].In the title compound, C DOI: 10.1107/S160053681101035X/hb5818Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Important geometrical parameters include Hg—C = 2.079 (4) and 2.087 (4) Å, Hg—S = 2.3869 (10) and 2.3889 (11) Å, and C—Hg—S = 166.42 (12) and 168.09 (13)°. Weak intramolecular Hg—N bonding interactions of 2.589 (4) and 2.626 (4) Å are observed. In the crystal, C—H⋯Cl, C—H⋯F, C—H⋯N, C—H⋯π and π–π [centroid–centroid distances = 3.648 (3) and 3.641 (3) Å] interactions, create parallel planes along [101].In the title compound, [Hg(C For syn al. 1998; von Esc al. 2008. For det6H5)(C13H9F2N4S)]·0.5CH2Cl2                         = 0.032                           wR(F                           2) = 0.074                           S = 1.21                           9726 reflections514 parametersH-atom parameters constrainedmax = 3.10 e Å−3                        Δρmin = −2.47 e Å−3                        Δρ                                 APEX2  global, I. DOI: 10.1107/S1600536811050331/zq2140Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


As a result of this difference in the coordination modes, the C—S bond lengths are different, viz. 1.687 (2) and 1.692 (2) Å in the bidentate ligand and 1.723 (2) Å in the monodentate ligand, whereas the non-coordinating S atom has a C—S distance of 1.649 (2) Å. The crystal packing is stabilized by C—H⋯O interactions.The title compound, [Pd(C DOI: 10.1107/S1600536811040487/bt5655Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The vinyl groups project into the interlamellar space and the structure is held together via van der Waals forces. The Cd2+ ion is six-coordinate and the geometry is best described as distorted octahedral, with O—Cd—O angles falling within the range 61.72 (13)–101.82 (14)°. Five of the coordinated oxygen atoms originate from the phosphonate group and the sixth from a bound water molecule. Cd—O distances lie between 2.220 (3) and 2.394 (2) Å. The water molecule is hydrogen bonded to a phosphonate oxygen atom.The title compound, [Cd(C DOI: 10.1107/S160053681100780X/pk2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C atom of the aryl ligand occupies the apical position of the BiCN2O3 coordination polyhedron, while the equatorial plane is formed by one O atom of the dmf ligand and two sets of N and O atoms from the chelating 3-hpic ligands. Intermolecular secondary Bi⋯O [3.485 (3) Å] and O—H⋯O hydrogen-bonding interactions connect the complexes into a three-dimensional network. Intramolecular O—H⋯O hydrogen bonds are also observed.The title organometallic complex, [Bi(C DOI: 10.1107/S1600536810044235/sj5046Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, numerous N—H⋯Cl and bifurcated N—H⋯ hydrogen bonds link the components.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811049464/hb6519Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the 5-acetyl-2-hydroxybenzoate anion, the hydroxy group links with the carboxylate group via an intramolecular O—H⋯O hydrogen bond and the acetyl group is twisted to the benzene ring at a dihedral angle of 16.99 (12)°. In the crystal structure, the cations, anions and water molecules are linked by extensive O—H⋯O hydrogen bonding.In the title compound, [Co(H DOI: 10.1107/S1600536811046678/xu5375Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII atom shows a distorted pentagonal–bipyramidal coordination environment. The ZnII and one O atom are situated on a crystallographic twofold rotation axis. In the crystal, intralayer O—H⋯O hydrogen-bond interactions help to consolidate the coordination layer.The crystal structure of the title complex, [Zn(C DOI: 10.1107/S1600536811024512/im2292Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The organic dication is distorted, as indicated by the N—C—C—N torsion angles, which range from 16.76 (4) to 19.54 (3)°.In the crystal structure of the title compound, (C DOI: 10.1107/S1600536811020782/si2354Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A two-dimensional network parallel to the ab plane is built up by C—H⋯O hydrogen bonds, which link adjacent molecules in the crystal structure.In the title compound, [Co(NO DOI: 10.1107/S1600536811013328/ng5146Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by O—H⋯N and N—H⋯N hydrogen bonds, forming a three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536810050178/bt5405Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging acetate ligands link the Zn atoms into a chain along [001]. N—H⋯O hydrogen bonds and π–π interactions between the pyridine and pyrazole rings [centroid–centroid distance = 3.927 (3) Å] connect the chains into a layer parallel to (011).In the title compound, [Zn(CH H-pyrazol-3-yl)pyridine, see: Davies et al. 2(C8H7N3)] = 0.056                           wR(F                           2) = 0.131                           S = 1.06                           2479 reflections181 parametersH-atom parameters constrainedmax = 0.51 e Å−3                        Δρmin = −0.54 e Å−3                        Δρ                                 CrystalClear  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811040190/hy2465Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two Cd atoms are each coordinated by two bridging Cl atoms and three terminal Cl atoms and the [Cd2Cl8]4− anion is located on an inversion centre. The crystal structure consists of N—H⋯Cl hydrogen-bonded sheets, which are further linked by C—H⋯Cl contacts, yielding a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811006945/rn2080Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Ni(C11H11N2O5)2(C2H8N2)2], is built up by inversion symmetry associated with the central Ni atom. The ethylenediamine ligands are non-planar. The r.m.s. deviation from the mean plane of the five-membered Ni–ethylamine chelate ring plane is 0.1945 Å. In the crystal structure, complex molecules are linked to each other via N—H⋯O and O—-H⋯O hydrogen bonding through translation symmetry along the b and c axes, resulting in an extended supramolecular network.The title mononuclear Ni DOI: 10.1107/S1600536810032848/si2287Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Therefore the asymmetric unit contains one crystallographically independent half-molecule. The Cd atom adopts a tetrahedral coordination geometry, coordinated by two I atoms and two N atoms from the symmetry-related 4-(2-methylstyryl)pyridine ligands.In the title complex, [CdI DOI: 10.1107/S1600536811037573/bq2302Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular O—H⋯O and C—H⋯O hydrogen bonds form a two-dimensional network parallel to (001).In the title complex, [Cu(C DOI: 10.1107/S1600536811009627/rn2083Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal ions are linked by the EG and L ligands, forming two-dimensional coordination networks, which are associated into the three-dimensional structure through O—H⋯O hydrogen bonds.In the title complex, {[Mn(C DOI: 10.1107/S1600536810045411/fk2028Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C atoms of one phenyl ring and the ethanol molecule are disordered over two sets of sites with site-occupancy factors of 0.57 (5):0.43 (5) and 0.79 (2):0.21 (2), respectively. Intermolecular O—H⋯O hydrogen bonds stabilize the crystal structure. In the title complex, [Sn DOI: 10.1107/S1600536811011937/lr2004Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of these Na sites is located on an inversion centre, one is partially occupied [occupancy 0.341 (9)], and one is statistically occupied by Na and Mn in a ratio of 0.829 (5):0.171 (5). Na1.67Mn2.17(MoO4)3 is isotypic with structures of the Ag2M2(MoO4)3  family. A comparative structural description is provided between the structure of the title compound and those of related phases containing (MXO8)n chains  or M2O10  dimers.The title compound, disodium dimanganese(II) tris[orthomolybdate(VI)], was prepared by solid-state reactions. The structure can be described as being composed of Mn DOI: 10.1107/S160053681400614X/wm5009Isup2.hklStructure factors: contains datablock(s) I. DOI: 992636CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The succinate anion, located across another inversion center, bridges the Co cations, forming polymeric chains running along the b axis. The partially overlapped arrangement of parallel isoquinoline ring systems of adjacent polymeric chains and the shorter face-to-face distance of 3.402 (6) Å indicates the existence of weak π–π stacking in the crystal structure. Classical intra- and intermolecular O—H⋯O hydrogen bonding and weak non-classical intermolecular C—H⋯O hydrogen bonding help to stabilize the crystal structure.In the title compound, [Co(C DOI: 10.1107/S1600536810023895/rk2211Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The MnII atom is six-coordinated by four N atoms of the Schiff base ligand and by two N atoms of two thiocyanate ligands, forming a distorted octahedral geometry.The molecule of the title compound, [Mn(NCS) DOI: 10.1107/S1600536810021550/ci5097Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Perchlorate anions B and C are severely disordered. The occupancies of the two major conformers of anion B refined to 0.302 (6) and 0.198 (6). Perchlorate ion C was modeled in two alternate conformations which refined to occupancies of 0.552 (10) and 0.448 (10).The asymmetric unit of the title compound, [Ru(C DOI: Click here for additional data file.10.1107/S1600536812048428/bx2430Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CdII ion lies on a twofold axis. The piperazine ring is in chair conformation and its least-squares plane makes a dihedral angle of 81.4 (1)° with that of the pyridine ring.In the title complex, [Cd(C DOI: 10.1107/S1600536811054791/nc2258Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the least-squares plane through the silver(I) fragment and the nitrate anion is 31.29 (13)°. The molecular structure is stabilized by several inter- and intramolecular O—H⋯O and C—H⋯O hydrogen bonds. The AgI atom is coordinated by two pyridine N atoms and two O atoms of the nitrate anion in a geometry intermediate between tetrahedral and square-planar.In the title compound, a new macrocyclic metal complex, [Ag(NO DOI: 10.1107/S1600536811020472/ff2013Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Only weak intermolecular interactions are present in the crystal structure, viz. C—H⋯O hydrogen bonds and C—H⋯π interactions involving one of the benzene rings.In the title compound, C DOI: 10.1107/S1600536810044661/fb2212Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is high thermal motion in the free cyclopentadienyl ring compared with the substituted cyclopentadienyl ring. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.In the title compound, [Fe(C DOI: 10.1107/S1600536814004899/fj2663Isup2.hklStructure factors: contains datablock(s) I. DOI: 989588CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The CoIII ion is displaced by 0.038 (2) Å from the equatorial plane towards the axial Cl atom.In the title complex, [Co(C DOI: 10.1107/S1600536811003321/hy2400Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three acetronitile ligands linearly bind to the RuII atom, with Ru—N—C angles of 172.6 (2), 179.9 (2) and 171.4 (2)°.In the title complex, [RuCl DOI: Click here for additional data file.10.1107/S1600536813014128/hy2625Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the anions and cations are linked by N—H⋯O interactions along the b axis and a short N—O⋯π contact [3.2899 (5) Å] also occurs.In the title compound, C DOI: 10.1107/S1600536810032629/bx2300Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, molecules pack via weak C—H⋯N and C—H⋯Cl interactions.In the title compound, [MnCl DOI: 10.1107/S1600536811043352/su2330Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043352/su2330Isup3.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hpc ligands bridge adjacent EuIII ions, forming infinite double chains. Adjacent chains are further connected by hpc ligands into sheets. O—H⋯O hydrogen bonds then generate a three-dimensional supramolecular framework.In the title coordination polymer, {[Eu(C DOI: 10.1107/S1600536810048518/hb5735Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains two Pb2+ cations, one Cl− anion and one and a half terephthalate anions, the latter being completed by inversion symmetry. The two Pb2+ cations are each surrounded by five O atoms and one Cl atom in the form of irregular polyhedra. The cations are linked by μ2-O and μ2-Cl atoms into binuclear units, which are further extended through Pb—O interactions into an undulated inorganic layer parallel to (001). These layers are connected along [001] by the terephthalate groups into a three-dimensional framework. The title compound, [Pb DOI: 10.1107/S160053681101779X/wm2483Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S160053681101779X/wm2483Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II dimer, [Ga2Br4(C12H23P)2], was synthesized by reaction of GaBr(THF)n (THF is tetrahydrofuran) with dicyclohexylphosphine in toluene. At 150 K the crystallographically centrosymmetric molecule exhibits disorder in which one of the two independent cyclohexyl groups is modelled over two sites in a 62 (1):38 (1) ratio. In d6-benzene solution, the compound exhibits virtual Ch2 symmetry as determined by 1H NMR. The coordination environment of the GaII atom is distorted tetrahedral.The title compound, a Ga DOI: 10.1107/S1600536812035982/nk2174Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is stabilized by intermolecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds. There are also π–π interactions between the pyridine rings of the pydc ligands and between the pydc ligands and the benzene-1,3-diammonium cations, with centroid–centroid distances of 3.4575 (15) and 3.7521 (15) Å.In the title compound, (C DOI: 10.1107/S1600536811009858/hy2407Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the two Cp rings is 3.20 (17)°. The crystal packing is mainly stabilized by van der Waals forces.In the title molecule, [Fe(C DOI: 10.1107/S1600536811014796/mw2007Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked by C—H⋯π interactions.In the title compound, C DOI: 10.1107/S1600536812034083/su2485Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812034083/su2485Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The central paddle-wheel units are formed by four bridging bidentate naphthalene-1-acetate ligands with two dimethylformamide ligands in the axial positions. The unique CuII ions have slightly distorted square-pyramidal coordination geometries. One of the naphthalene rings is disordered over two sets of sites, with refined occpancies of 0.535 (4) and 0.465 (4).The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536812007064/lh5416Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A pair of 2-phenylquinoline-4-carboxylate anions bridge two Mn cations, forming the dinuclear molecule. An intramoleculr O—H⋯O hydrogen bond occurs. Intermolecular O—H⋯O and O—H⋯N hydrogen bonds are present in the crystal structure.In the centrosymmetric dinuclear title complex, [Mn DOI: 10.1107/S1600536811039341/xu5330Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [Pd(C24H49P2)Cl], has a distorted square-planar CClP2 coordination geometry with the P,C,P′-tridentate ligand forming two five-membered metallacycles. The cyclohexane ring is aligned with the PdII coordination plane due to C—H activation in an equatorial position, giving a tri-equatorial conformation of the cyclohexyl ring.The Pd Cl] = 0.028wR(F2) = 0.070S = 0.969297 reflections253 parametersH-atom parameters constrainedmax = 1.28 e Å−3Δρmin = −0.56 e Å−3ΔρCrysAlis CCD  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S1600536812047022/wm2700Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The complex forms a one-dimensional chain in the crystal structure through short C—H⋯Br contacts (H⋯Br = 3.009 Å).In the title complex, [Ni(C DOI: 10.1107/S1600536811020885/bh2357Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cyclopentadienyl rings of the ferrocene moiety are arranged in an eclipsed conformation. The hydroxy group, and the corresponding methine H atom, are disordered over two sets of sites with site-occupancy factors of 0.744 (4) and 0.256 (4). An intramolecular C—H⋯O close contact is observed. In the crystal, O—H⋯N hydrogen bonds form a C(6) chain along [100].In the title ferrocene derivative, [Fe(C DOI: 10.1107/S1600536813031218/zq2212Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


This Cs3Y7Se12-type arrangement is structurally based on the Z-type sesquiselenides M               2Se3 adopting the Sc2S3 structure. Thus, the structural set-up of Cs3Sm7Se12 consists of edge- and vertex-connected [SmSe6]9− octahedra [d               Ø(Sm3+ – Se2−) = 2.931 Å], forming a rock-salt-related network [Sm7Se12]3− with channels along [001] that are apt to take up monovalent cations (here Cs+) with coordination numbers of 7 + 1 for one and of 6 for the second cation. The latter cation has a trigonal–prismatic coordination and shows half-occupancy, resulting in an impossible short distance [2.394 (4) Å] between symmetrically coupled Cs+ cations of the same kind. While one Sm atom occupies Wyckoff position 2b with site symmetry ..2/m, all other 11 crystallographically different atoms  are located at Wyckoff positions 4g with site symmetry ..m.The title compound, tricaesium heptasamarium(III) dodecaselenide, is setting a new starting point for realization of the channel structure of the Cs DOI: 10.1107/S1600536811051919/wm2561Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PrIII ions are bridged by the oxalate ligands, forming a layer parallel to (001). O—H⋯O hydrogen bonds connect the layers.In the title complex, [Pr DOI: 10.1107/S1600536812011014/hy2521Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two S and two O atoms form the coordination environment of the Cu atom, resulting in a slightly distorted square-planar coordination. The S atoms are in a cis configuration. The crystal structure is stabilized by weak intermolecular C—H⋯Br hydrogen-bonding interactions.The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536811015789/bt5534Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two Cl atoms complete a distorted square-pyramidal geometry around the metal atom. In the crystal, a C—H⋯Cl interaction connects pairs of molecules into centrosymetric dimers.In the title compound, [CdCl DOI: 10.1107/S1600536811005538/pv2387Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Whereas four HPAA ligands coordinate to just two DyIII atoms, the remaining two ligands bridge the two DyIII atoms. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds link the molecules into a three-dimensional network.In the title dinuclear complex, [Dy DOI: 10.1107/S1600536810044107/bt5397Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


O—H⋯O hydrogen-bonding interactions involving the water molecules form infinite chains parallel to [010].In the title compound, [Zn(C DOI: 10.1107/S1600536810050865/dn2633Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Depending on the number of coordination sites (n) assigned to the BH4               − ligand, the coordination geometry of the W atom may either be described as approximately trigonal–bipyramidal (n = 1) or as very distorted octahedral with the bridging H atoms filling two coordination positions (n = 2). In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032 Å) form one octahedral plane, with mutually trans-oriented carbene ligands. In the crystal, molecules are connected via C—H⋯O interactions.In the title paramagnetic 19-electron neutral complex, [W(BH DOI: 10.1107/S1600536810052426/fj2374Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ag+ cation is coordinated by two unsubstituted imidazolyl N atoms of two independent 2-paBIM ligands [2-paBIM is bis{2-[(E)-phenyldiazenyl]-1H-imidazol-1-yl}methane]. The shortest Ag⋯Ag separation in a cationic chain is 8.841 (2) Å and the dihedral angle between two 2-phenyldiazenyl-imidazole planes in the same ligand is 74.7 (3)°. Weak C—H⋯O interactions are seen in the crystal.The title compound, {[Ag(C DOI: 10.1107/S1600536811035951/im2314Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The equatorial sites are occupied by a 2--1,10-phenanthroline ligand in a tridentate coordination mode and a bis-chelating nitrate ligand. Two aqua ligands are coordinated at the axial sites. All non-H atoms in the equatorial plane are co-planar within 0.0673 Å. In the crystal, intermolecular O—H⋯O and O—H⋯N hydrogen bonds connect the components into a two-dimensional network parallel to (001). In addition, there is a π–π stacking interaction between symmetry-related benzene rings, with a centroid–centroid distance of 3.598 (3) Å.In the title complex, [Cd(C DOI: 10.1107/S1600536810039735/lh5140Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, π–π contacts between the pyridine and benzene rings  stabilize the structure.In the title compound, [CoBr DOI: Click here for additional data file.10.1107/S160053681204367X/hy2596Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The isobutyl group is disordered over two sets of sites in a 0.899 (9):0.101 (9) ratio. In the crystal, weak aromatic π–π stacking interactions involving the imidazole and thiadiazole rings with a centroid–centroid distance of 3.8067 (7) Å occur.In the title compound, C DOI: 10.1107/S1600536810053201/hb5776Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three-dimensional framework is accomplished by stacking of adjacent layers that are held together by SrO8 polyhedra (2/m symmetry). Two types of O—H⋯O hydrogen bonds involving the water molecule are present, viz. one very strong hydrogen bond perpendicular to the layers and weak trifurcated hydrogen bonds parallel to the layers.The title compound, dinickel(II) strontium bis[orthophosphate(V)] dihydrate, was obtained under hydrothermal conditions. The crystal structure consists of linear chains  DOI: 10.1107/S1600536810045113/wm2418Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two Na atoms are disordered over two general and special positions . The main structural feature is the association of the CoO6 octahedra in the ab plane, forming Co4O20 units, which are corner- and edge-connected via AsO4 and As2O7 arsenate groups, giving rise to a complex polyhedral connectivity with small tunnels, such as those running along the b- and c-axis directions, in which the Na+ ions reside. The structural model is validated by both bond-valence-sum and charge-distribution methods, and the distortion of the coordination polyhedra is analyzed by means of the effective coordination number.In the title compound, trisodium dicobalt arsenate diarsenate, Na DOI: 10.1107/S1600536812027791/jj2142Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812027791/jj2142Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII ion adopts a distorted tetrahedral geometry, the dihedral angle between the two benzene rings being 86.05 (16)°.The title ethyl–zinc complex, [Zn(C DOI: 10.1107/S1600536811005514/bh2336Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


It forms a three-dimensional framework connected by extensive O—H⋯O and O—H⋯N hydrogen-bonding interactions.The title compound, [Y DOI: 10.1107/S1600536810044831/ds2064Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing between the complex cation and the zwitterionic organic cation (m symmetry) is stabilized by intermolecular O—H⋯O hydrogen bonds and weak intermolecular C—H⋯O interactions.In the title compound, [Mg(H DOI: 10.1107/S1600536810046696/jj2069Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular geometry around the sulfur atom is tetrahedral with X–S–Y angles spanning a range of 102.23 (6)–110.04 (6)°. In the crystal, the water molecules connect the sodium cations into chains along the b axis via O—H⋯O hydrogen bonds. An intermolecular O—H⋯π interaction is also observed.The title compound, Na DOI: 10.1107/S1600536811021738/dn2695Isup2.cdx            Supplementary material file. DOI: 10.1107/S1600536811021738/dn2695Isup3.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021738/dn2695Isup4.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dialkylated N atom has an appreciably longer bond length to the NiII atom [1.9666 (13) Å] than does the unsubstituted N atom [1.9202 (14) Å]. The Ni—N bond lengths in [Ni(Et2en)2]Br2 are significantly shorter than corresponding values in tetragonally distorted [Ni(Et2en)2               X               2] compounds , which have a triplet ground state. The electronic configuration in these axially ligated [Ni(Et2en)2               X               2] compounds populates the metal-based d               x               2               -y               2 orbital, which is Ni—N antibonding in character. Each Et2en ligand in each [Ni(Et2en)2]2+ cation forms a pair of N—H⋯Br hydrogen bonds to the Br− anions, one above and below the NiN4 square plane. Thus, a ribbon of alternating Br− pairs and [Ni(Et2en)2]2+ cations that are canted at 65° relative to one another is formed by hydrogen bonds.The structure of the title compound, [Ni(C DOI: 10.1107/S1600536810050403/wm2433Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination sphere around Cu(II) ion can be described as tetragonally distorted octahedral with two perchlorate O atoms occupying the apical positions and four N atoms from two N               1-(2-furylmethyl)ethane-1,2-diamine ligands in the basal plane.In the title complex, [Cu(ClO DOI: 10.1107/S1600536811012232/nk2094Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Mo—Mo bond length of 2.0881 (8) Å is typical for quadruply bonded species. The phenyl ring and the connected dimetal chelating ring (Mo2O2C) are nearly co-planar, making a dihedral angle of 3.24 (13)°. The dichloromethane solvent molecule is disordered over four sets of sites with occupancies of 0.3:0.3:0.2:0.2.The title compound, [Mo DOI: 10.1107/S1600536811002558/om2393Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The VV atom is coordinated by the O,N,O′-tridentate Schiff base ligand, one methanolate O atom and one oxide O atom, forming a distorted VO4N square-pyramidal coordination geometry. The oxide O atom lies at the apex of the square pyramid and the N atom of the ligand and the methanolate O atom are trans. The dihedral angle between the benzene rings of the ligand is 1.8 (3)°.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811041547/hb6443Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligands bridge the SrII ions, forming a two-dimensional structure. In the crystal, O—H⋯O hydrogen bonds further connect the structure into a three-dimensional network. The H atoms of two of the carboxyl groups were refined as half-occupancy.In the title compound, {[Sr(C DOI: 10.1107/S1600536811050811/lh5373Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C atoms of the propan-1-aminium cation are disordered over two sets of sites in a 0.65 (3):0.35 (3) ratio. The crystal structure is stabilized by N—H⋯O hydrogen bonds.In the anion of the title solvated molecular salt, C DOI: 10.1107/S1600536811016850/bt5538Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811016850/bt5538Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N atoms occupy one axial and one equatorial site and the terminal chloride ion occupies an equatorial site. The dihedral angle between the pyridine and pyrazole rings is 12.8 (2)°. In the crystal, aromatic π–π stacking [centroid–centroid separations = 3.812 (3) and 3.848 (3) Å] and C—H⋯Cl and C—H⋯π interactions help to establish the packing.In the centrosymmetric binuclear title compound, [Zn DOI: 10.1107/S1600536810026127/hb5500Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit is composed of half a [ZnCl4]2− anion, half a 4-methylmorpholin-4-ium cation and half a dimethylammonium cation, all located on mirror planes parallel to ac. All the amine H atoms are involved in intermolecular N—H⋯Cl hydrogen bonds, building up an infinite chain parallel to the c axis.The title compound, (C DOI: 10.1107/S1600536811025049/zk2013Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intracyclic C—C—C angles span a range of 117.16 (19)–122.32 (19)°. Apart from intramolecular hydrogen bonds between hydroxyl and carboxyl groups, intermolecular hydrogen bonds are present in the crystal structure, the latter ones giving rise to centrosymmetric carboxylic acid dimers.The title compound, C DOI: 10.1107/S1600536811011998/bh2346Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains four Nd, four Ti and 14 O-atom sites. The perovskite-type slabs are stacked parallel to (010) with a thickness corresponding to four corner-sharing TiO6 octahedra. The Nd and Ti ions are displaced from the geometrical centres of respective coordination polyhedra so that the net polarization occurs along the c axis. The investigated crystals were all twinned and have a halved monoclinic unit cell in comparison with the first structure determination of this compound [Scheunemann & Müller-Buschbaum  dititanium(IV) heptaoxide, Ndbaum 1975. J. Inor DOI: Click here for additional data file.10.1107/S1600536813005497/wm2720Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII ions are connected by 5-hydroxyisophthalate (hbdc) and 2,2′-diethyl-1,1′-di-1H-imidazole (pbie) ligands, forming a threefold interpenetrating diamondoid framework. In the pbie ligand, one of the ethylimidazole groups is disordered over two positions, with a site-occupancy ratio of 0.670 (9):0.330 (9). An intermolecular O—H⋯O hydrogen bond is formed between the hydroxy and carboxylate groups of the hbdc ligands.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536811041456/hy2473Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two bpds ligands of the same axial chirality bridge ZnII atoms, generating repeated rhomboidal chains, which are linked by O—H⋯O hydrogen bonds into a ladder structure.In the title compound, {[Zn(C DOI: 10.1107/S1600536810021331/er2078Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bond angles around the NiII atom indicate that it exists in a slightly distorted square-planar geometry.The title compound, [Ni(C Cl(C18H15P)2] = 0.024                           wR(F                           2) = 0.057                           S = 1.02                           6780 reflections488 parametersH-atom parameters constrainedmax = 0.26 e Å−3                        Δρmin = −0.14 e Å−3                        ΔρAbsolute structure: Flack 1983, 2986 FrFlack parameter: 0.000 (7)                                 APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811032326/vm2114Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811032326/vm2114Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the three independent molecules of the title compound, [Sn(C7H6Cl)2(C9H6NO)Cl], is N,O-chelated by the quinolin-8-olate anion and exists in a cis-C2SnNOCl trigonal–bipyramidal geometry; the O atom  of the anion and the two benzyl C atoms lie in the equatorial plane.The Sn DOI: 10.1107/S160053681101573X/bt5528Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The SnIV atom in the anion is N,O-chelated by the hydroxyquinolinate in a cis-SnNOCl4 octahedral geometry. In the crystal, the cation, anion and solvent molecules are linked by N—H⋯O, O—H⋯O and O—H⋯Cl hydrogen bonds, generating a three-dimensional network.In the reaction of 8-hydroxyquinoline, 2-methyl-8-hydroxyquinoline and stannic chloride, the 2-methyl-8-hydroxyquinoline is protonated, yielding the disolvated title salt, (C DOI: 10.1107/S1600536811001954/si2328Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by intermolecular N—H⋯O, C—H⋯O and C—H⋯π interactions.In the title complex, [Ag(C DOI: 10.1107/S1600536811017776/jh2288Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The phenyl ring is twisted away from the fused ring system by 36.49 (5)° . The dihydropyran ring displays a distorted envelope configuration by displacement of the phenyl-bearing and the adjacent ring C atoms from the fused-ring system plane by 0.356 (2) and 0.402 (2) Å, respectively.In the title compound [systematic name: tricarbonyl(η DOI: 10.1107/S1600536810024992/zb2005Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Schiff base ligand adopts an E,E conformation. The dihedral angle between the planes of the two halves of the central N,N′-dimethylethylenediamine part of the ligand is 2.3 (11)°. The crystal studied was twinned by pseudomerohedry [twin law (0-10/-100/00-1)]; the contribution of the minor twin component refined to 0.208 (3).In the title compound, [HgBr DOI: 10.1107/S1600536812030577/wm2653Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The supramolecular structure is based on interactions involving the methoxy groups , π–π stacking of the electron-rich methoxy-substituted rings [centroid–centroid distances of 3.6454 (9)–3.738 (1) Å] and C—H⋯π contacts .The title compound, C DOI: 10.1107/S1600536811012888/vm2079Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810023214/pv2294Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains a half-cation and a half-anion. The atoms of the cation occupy general positions about an inversion centre, which is located at the midpoint of the central C—C bond. The Co atoms lie on a twofold rotation axis. The slightly distorted tetrahedral coordination environment around the metal atom consists of two Cl atoms and their symmetry-related pairs.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811050744/hp2021Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methanol O atom completes the distorted octahedral configuration of the MoVI atom. Strong O—H⋯N hydrogen bonds form a C(5) chain around a 21 screw axis. Weak C—H—O hydrogen bonds are also present.In the title benzilidene Schiff base molybdenum(VI) complex, [Mo(C O2(CH4O)] = 0.038                           wR(F                           2) = 0.104                           S = 1.01                           5867 reflections229 parametersH-atom parameters constrainedmax = 1.38 e Å−3                        Δρmin = −1.80 e Å−3                        Δρ                                 SMART  I, global. DOI: 10.1107/S1600536811020101/dn2692Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anions bridge adjacent TmIII ions into double chains. Adjacent chains are further connected into sheets. O—H⋯O hydrogen bonds involving both coordinated and uncoordinated water molecules generate a three-dimensional supramolecular framework.In the title coordination polymer, {[Tm(C DOI: 10.1107/S1600536811007628/pv2392Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformation of the cyclopentadienyl (Cp) rings in each ferrocenyl group are intermediate between eclipsed and staggered, with twist angles of 16.6 (2) and 8.9 (2)°. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, molecules are connected through intermolecular C—H⋯π interactions.Following our continuing interest in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C DOI: 10.1107/S1600536810040791/jh2205Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent complex molecules are linked through C—H⋯O hydrogen bonds.In title compound, [Co(C N,O- 3] = 0.040                           wR(F                           2) = 0.111                           S = 1.01                           6547 reflections445 parametersH-atom parameters constrainedmax = 0.59 e Å−3                        Δρmin = −0.23 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXTL  global, I. DOI: 10.1107/S1600536811044588/br2174Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯Cl hydrogen bonds are also observed.In the title organometallic complex, [Sb(C Cl] = 0.032                           wR(F                           2) = 0.092                           S = 1.05                           3644 reflections209 parametersH-atom parameters constrainedmax = 0.78 e Å−3                        Δρmin = −0.55 e Å−3                        Δρ                                 SMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811021477/vm2099Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021477/vm2099Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each TMIPA anion bridges three CdII cations, forming polymeric complex sheets parallel to (001). Weak C—H⋯O hydrogen bonding occurs between adjacent sheets.In the crystal structure of the polymeric title complex, [Cd(C DOI: 10.1107/S1600536811054183/xu5394Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811054183/xu5394Isup3.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The average Ru—P, Ru—N and Ru—Cl bond lengths are 2.325 (18), 2.1845 (7) and 2.4123 (12) Å, respectively.In the title compound, [RuCl DOI: 10.1107/S1600536810019276/tk2679Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Its crystal structure is formed by monuclear CdII entities in which the metal atom is sited on a twofold rotation axis. The CdII atom is six-coordinated in the form of a distorted octahedron by two chelating phenanthroline molecules and two thiocyanate anions coordinated through their N atoms. In the crystal, C—H⋯N hydrogen bonds are established between the phenanthroline and thiocyanate ligands of neighbouring complexes.The title compound, [Cd(NCS) DOI: 10.1107/S160053681101289X/zj2006Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intermolecular O—H⋯O hydrogen-bonding interaction between the free hydroxy group of the ligand and a nitrate O atom of an adjacent complex unit, gives a chain structure which extends across the (101) planes.In the title compound, [Cu(NO DOI: 10.1107/S1600536810051779/zs2083Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridinium NH H atom is disordered over the two ligands. Adjacent mononuclear clusters are linked through N—H⋯O and N—H⋯N hydrogen-bonding interactions, generating layers in the (102) plane.In the title compound, [Nd(NO DOI: 10.1107/S1600536812011397/bt5847Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The PF6               − anion is disordered over two sets of sites with occupancies of 0.779 (7) and 0.221 (7).In the title cationic Cp DOI: 10.1107/S1600536811028832/go2017Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hydrazine ligands coordinate to the CuIIatom by a pyridine N atom. These four atoms form a slightly distorted square-planar N4 donor set. In the packing, two additional Cu⋯O interactions occur [Cu⋯O = 2.462 (2) Å], resulting in a typical Jahn–Teller-distorted octahedral environment around the Cu atom. N—H⋯O hydrogen bonds result in a three-dimensional network. The O atoms of the anion are disordered over two positions in a 0.68 (2):0.32 (2) ratio.In the title complex, [Cu(C DOI: 10.1107/S1600536810038985/vm2045Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak N—H⋯Br interactions connect the anion to three symmetry-related cations. The crystal structure also displays very weak C—H⋯Br interactions.In the title salt, (C DOI: 10.1107/S1600536810047495/bh2319Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The chain structure is constructed from square-pyramidally coordinated CuII atoms linked through l-methionate ligands. The chains propagate along the a-axis direction and are linked to perchlorate anions via N—H⋯O hydrogen bonds.The structure of the title compound, {[Cu(C DOI: 10.1107/S1600536811014000/ff2004Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intramolecular N—H⋯O hydrogen bonds help to establish the configuration.In the title compound, [Ni(NO DOI: 10.1107/S1600536810044624/si2301Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular hydrogen-bond bridge from the carboline to the quinoline stabilizes a highly planar geometry [maximum deviation = 0.065 (6) Å] for the two rigid units. This hydrogen-bond-stabilized coplanarity has a very close analogy in the structure of the antitumor antibiotic streptonigrin in the solid state and in solution. Intermolecular hydrogen-bond bridges of amides groups along the a axis and π–π stacking interactions [centroid–centroid distance = 3.665 (9) Å] connect molecules arranged in a parallel manner.The title compound, C DOI: 10.1107/S1600536811018794/bt5551Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811018794/bt5551Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular O—H⋯O hydrogen bond occurs. Intermolecular O—H⋯O hydrogen bonds generate a layer structure parallel to (001). There are weak C—H⋯O interactions within the layers.The Zn(II) atom in the title compound, [Zn(SO DOI: 10.1107/S1600536811003138/ng5108Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are connected by π–π stacking interactions , forming columns parallel to the a axis.In the title compound, C DOI: 10.1107/S1600536811028479/rz2626Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811028479/rz2626Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure exhibits a two-dimensional metal–organic -net composed of CdII atoms and bimb ligands, and such layers are further joined through interlayer C—H⋯O hydrogen bonds to generate a three-dimensional supramolecular structure.A novel metal–organic framework based on 1,3-bis(imidazol-1-ylmethyl)benzene , [Cd(NO DOI: 10.1107/S1600536811021027/hp2007Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯N hydrogen bonds between the coordinated water molecule and the tetrazolyl group of the 5-(2-pyridylmethyl)tetrazolate ligand lead to the formation of a three-dimensional network.In the title mononuclear complex, [Zn(C DOI: 10.1107/S1600536811019507/bt5553Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯Cl hydrogen bonds and π–π stacking interactions between the pyridyl rings [centroid–centroid distance = 3.7337 (18) Å] are present in the crystal structure.In the title compound, [CdCl DOI: 10.1107/S1600536810029399/hy2335Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each oxalate ligand chelates to two SmIII atoms, generating a three-dimensional anionic network with cavities in which the ammonium cations and lattice water molecules reside. Various O—H⋯O, N—H⋯O and C—H⋯O hydrogen-bonding interactions further stablize the crystal structure.In the title complex, {(C DOI: 10.1107/S1600536811020058/om2429Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: