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Poly[[aqua-(?(5)-1H-benzimidazole-5,6-dicarboxyl-ato)(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato)dibarium] 4.5-hydrate].

ABSTRACT: The polymeric title compound, {[Ba(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)]·4.5H(2)O}(n), adopts a layer structure parallel to (001) in which adjacent Ba(II) atoms are connected by two benzimidazole-5,6-dicarboxyl-ate dianions, one functioning in a ?(4)-bridging mode and the other in a ?(5)-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water mol-ecules occupy the space between layers and inter-act with the layers through O-H?O, O-H?N and N-H?O hydrogen bonds. ne of the five lattice water molecules is equally disordered around an inversion centre and shows half-occupancy.

SUBMITTER: Zhang HQ

PROVIDER: S-EPMC3120458 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Poly[[aqua-(μ(5)-1H-benzimidazole-5,6-dicarboxyl-ato)(μ(4)-1H-benzimidazole-5,6-dicarboxyl-ato)dibarium] 4.5-hydrate].

Zhang Heng-Qiang HQ Zheng Xiu-Jun XJ Zhao Chun-Xiang CX Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

The polymeric title compound, {[Ba(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)]·4.5H(2)O}(n), adopts a layer structure parallel to (001) in which adjacent Ba(II) atoms are connected by two benzimidazole-5,6-dicarboxyl-ate dianions, one functioning in a μ(4)-bridging mode and the other in a μ(5)-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water mol-ecu ...[more]

PMID: 21754581

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Project description:In the title mononuclear complex, [Ni(C(9)H(4)N(2)O(4))(H(2)O)(5)]·5H(2)O, the Ni(II) atom is six-coordinated by one N atom from a 1H-benzimidazole-5,6-dicarboxyl-ate ligand and by five O atoms from five water mol-ecules and displays a distorted octa-hedral geometry. Inter-molecular O-H⋯O hydrogen-bonding inter-actions among the coordinated water mol-ecules, solvent water mol-ecules and carboxyl O atoms of the organic ligand and additional N-H⋯O hydrogen bonding lead to the formation of a three-dimensional supra-molecular network.

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catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

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Poly[diaqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O,O:O)magnesium(II)].

Project description:In the title complex, [Mg(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mg(II) atom is six-coordinated by one N and three O atoms from three different 1H-benzimidazole-5,6-dicarboxyl-ate ligands and two O atoms from two water mol-ecules, forming a slightly distorted octa-hedral geometry. The ligand links the Mg(II) centres into a three-dimensional network. Extensive N-H?O and O-H?O hydrogen bonds exist between the ligands and water mol-ecules, stabilizing the crystal structure.

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