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Di-?(3)-chlorido-tetra-?(2)-chlorido-dichloridobis(dimethyl-formamide-?O)hexa-kis-(1H-imidazole-?N)tetra-cadmium.

ABSTRACT: The centrosymmetric mol-ecule of the title complex, [Cd(4)Cl(8)(C(3)H(4)N(2))(6)(C(3)H(7)NO)(2)], contains four Cd(II) atoms, six imidazole, two dimethyl-formamide and eight chloride ligands. The structure shows a novel chloride-bridged tetra-nuclear cadmium quasi-cubane cluster. The coordination geometry of all Cd(II) atoms is distorted octa-hedral, with the two metal atoms in the asymmetric unit in different coordination environments. One of the Cd(2+) ions is coordinated by five Cl(-) ions and by one N atom from an imidazole ligand, while the second is coordinated by three chloride ligands, two N atoms from two imidazole ligands and one O atom from a dimethyl-formamide mol-ecule. Inter-molecular N-H?Cl hydrogen bonds link the mol-ecules into a two-dimensional polymeric structure parallel to the ab plane.

SUBMITTER: Zhu RQ

PROVIDER: S-EPMC3201276 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Di-μ(3)-chlorido-tetra-μ(2)-chlorido-dichloridobis(dimethyl-formamide-κO)hexa-kis-(1H-imidazole-κN)tetra-cadmium.

Zhu Run-Qiang RQ

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The centrosymmetric mol-ecule of the title complex, [Cd(4)Cl(8)(C(3)H(4)N(2))(6)(C(3)H(7)NO)(2)], contains four Cd(II) atoms, six imidazole, two dimethyl-formamide and eight chloride ligands. The structure shows a novel chloride-bridged tetra-nuclear cadmium quasi-cubane cluster. The coordination geometry of all Cd(II) atoms is distorted octa-hedral, with the two metal atoms in the asymmetric unit in different coordination environments. One of the Cd(2+) ions is coordinated by five Cl(-) ions an ...[more]

PMID: 22058708

Similar Datasets

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | biostudies-literature

Tetra-kis(1-ethyl-1H-imidazole-?N)bis-(thio-cyanato-?N)cadmium(II).

Project description:The structure of the title compound, [Cd(NCS)(2)(C(5)H(8)N(2))(4)], consists of isolated mol-ecules of [Cd(NCS)(2)(Eim)(4)] (Eim = 1-ethyl-imidazole), which contain a compressed octa-hedral CdN(6) chromophore. The NCS(-) anions are trans and four N atoms from the 1-ethyl-imidazole ligands define the equatorial plane. The mean Cd-N(Eim) and Cd-N(NCS) distances are 2.334?(4) and 2.379?(5)?Å, respectively. Weak C-H?N inter-actions contribute to the crystal packing stability.

| S-EPMC2983676 | biostudies-literature

Hexa-kis-(1H-imidazole-?N)iron(II) sulfate-1H-imidazole (1/2).

Project description:The asymmetric unit of the title compound, [Fe(C(3)H(4)N(2))(6)]SO(4)·2C(3)H(4)N(2), contains two complex cations, two sulfate anions and four imidazole mol-ecules. In both cations, the Fe(II) atom is coordinated by six monodentate imidazole ligands and exhibits a slightly distorted octa-hedral coordination geometry. The Fe-N distances [2.184?(4)-2.218?(4)?Å] point to a high-spin state of the Fe(2+) ions. N-H?O hydrogen bonds between the ionic components generate a three-dimensional framework containing corrugated channels along [001], which are filled by N-H?N hydrogen-bonded imidazole chains.

| S-EPMC3247524 | biostudies-literature

Erratum: Chlorido-tetra-kis-(imidazole)-copper(II) chloride. Corrigendum.

Project description:[This corrects the article DOI: 10.1107/S1600536807044108.].

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Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.

Project description:The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5).

| S-EPMC4257439 | biostudies-literature

Hexa-kis-(dimethyl-formamide-?O)manganese(II) (dimethyl-formamide-?O)pentakis(-thio-cyanato--?N)chromate(III).

Project description:The title compound, [Mn(C(3)H(7)NO)(6)][Cr(NCS)(5)(C(3)H(7)NO)], was obtained unintentionally as a product of an attempted synthesis of heterometallic complexes based on Reineckes anion using manganese powder, Reineckes salt and 1-(2-hy-droxy-eth-yl)tetra-zole as starting materials. The crystal structure of the complex consists of an [Mn(dmf)(6)](2+) cation and a [Cr(NCS)(5)(dmf)](2-) anion (dmf = dimethyl-formamide). The Mn(II) and Cr(III) atoms show a slightly distorted octa-hedral MnO(6) and CrN(5)O coordination geometries with adjacent angles in the range 85.29?(13)-95.96?(14)°.

| S-EPMC3379144 | biostudies-literature

Poly[tetra-deca-aqua-tetra-kis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-?(3)-sulfato-cobalt(II)hexa-gadolinium(III)].

Project description:The asymmetric unit of the title compound, [CoGd(6)(C(5)H(2)N(2)O(4))(4)(SO(4))(6)(H(2)O)(14)](n), contains a Co(II) ion (site symmetry [Formula: see text]), three Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, three SO(4) (2-) anions, and seven coordinated water mol-ecules. The Co(II) ion is six-coordinated by two O atoms from water mol-ecules, two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. The Gd(III) ions exhibit three types of coordination environments. One Gd ion is eight-coordinated in a bicapped trigonal-prismatic geometry by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions and two coordinated water mol-ecules. The other Gd ions are nine-coordinated in a tricapped trigonal-prismatic geometry; one of these Gd ions is bonded to four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and two water O atoms and the other Gd ion is coordinated by one O atom and one N atom from one imidazole-4, 5-dicarboxyl-ate ligand, five O atoms from three SO(4) (2-) anions as well as two coordinated water mol-ecules. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212143 | biostudies-literature

Poly[tetra-kis-(dimethyl-formamide)tris(?(4)-terephthalato)trimagnesium].

Project description:The title framework compound, [Mg(3)(C(8)H(4)O(4))(3)(C(3)H(7)NO)(4)](n) or [Mg(3)(bdc)(3)(DMF)(4)](n), was obtained as a side product of the solvothermal reaction of magnesium nitrate, terephthalic acid (bdcH(2)), and 1,3-bis-(4-pyrid-yl)propane in a 1:2:1 ratio in dimethyl-formamide (DMF). The asymmetric unit consists of three Mg(II) cations, three terephthalate anions, and four coordinating DMF mol-ecules. One of the four DMF mol-ecules was refined as disordered over two mutually exclusive positions, with an occupancy rate for the major moiety of 0.923?(4). The three Mg(II) cations possess distorted octa-hedral coordination geometries that form linear Mg trimers. Of the three Mg(II) cations, the central Mg(II) is octa-hedrally coordinated by six different carboxyl-ate O atoms. The terminal Mg(II) cations are bonded to four O atoms of three bdc linkers and to two O atoms of coordinating DMF mol-ecules. The compound has a two-dimensional 3(6)-network structure parallel to (001) that is formed by connection of the Mg trimers as distorted octa-hedral nodes to the bdc ligands as linkers.

| S-EPMC3470164 | biostudies-literature

Hexa-?(2)-chlorido-?(4)-oxido-tetra-kis-[(3-methyl-5-phenyl-1H-pyrazole-?N)copper(II)].

Project description:The title compound, [Cu(4)Cl(6)O(C(10)H(10)N(2))(4)], contains four Cu(II) atoms which are bridged by six chloride anions. The central O atom is located on a crystallographic fourfold roto-inversion axis. Each Cu(II) atom is coordinated by an N atom of a neutral monodentate 3-methyl-5-phenyl-pyrazole ligand, three Cl(-) anions, and one O(2-) anion. The geometry at each Cu(II) atom is distorted trigonal-bipyramidal, with the three Cl(-) ions in the equatorial plane and the N and O atoms in the axial positions.

| S-EPMC3051691 | biostudies-literature

Tetra-kis(4-chloro-anilinium) hexa-chlorido-stannate(IV) dichloride.

Project description:The asymmetric unit of the title compound, (C(6)H(7)ClN)(4)[SnCl(6)]Cl(2), comprises two 4-chloro-anilinium cations, half of an [SnCl(6)](2-) anion and a Cl(-) anion. The Sn(IV) atom, located on a special position on a twofold rotation axis, exhibits an octa-hedral environment. In the crystal, mol-ecules are linked by N-H?Cl hydrogen bonds between the 4-chloro-anilinium cations, [SnCl(6)](2-) anions and Cl(-) anions.

| S-EPMC3379112 | biostudies-literature

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