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?-Benzene-1,2,4,5-tetra-carboxyl-ato-?O,O:O,O-bis-[diaqua(phen-an-thro-line-?N,N')nickel(II)] 0.67-hydrate.

ABSTRACT: The asymmetric unit of the title compound, [Ni(2)(C(10)H(2)O(8))(C(12)H(8)N(2))(2)(H(2)O)(4)]·0.67H(2)O, contains one complete binuclear complex and one half-mol-ecule, the latter being completed by crystallographic inversion symmetry, and 0.67 of a solvent water molecule. Each Ni(2+) cation is coordinated by a 1,10-phenanthroline ligand, a bidentate benzene-1,2,4,5-tetra-carboxyl-ate (btec) tetra-anion and two water mol-ecules to generate a distorted cis-NiN(2)O(4) octa-hedral coordination geometry. The btec species bridges the metal ions. In the crystal, the clusters and uncoordinated water mol-ecules are linked by O-H?O hydrogen bonds and ?-? inter-actions [shortest centroid-centroid separation = 3.596?(2)?Å] to form a three-dimensional network.

SUBMITTER: Zhuang C

PROVIDER: S-EPMC3297230 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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μ-Benzene-1,2,4,5-tetra-carboxyl-ato-κO,O:O,O-bis-[diaqua(phen-an-thro-line-κN,N')nickel(II)] 0.67-hydrate.

Zhuang Changfu C Li Ning N Yu Xiao-Yang XY

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

The asymmetric unit of the title compound, [Ni(2)(C(10)H(2)O(8))(C(12)H(8)N(2))(2)(H(2)O)(4)]·0.67H(2)O, contains one complete binuclear complex and one half-mol-ecule, the latter being completed by crystallographic inversion symmetry, and 0.67 of a solvent water molecule. Each Ni(2+) cation is coordinated by a 1,10-phenanthroline ligand, a bidentate benzene-1,2,4,5-tetra-carboxyl-ate (btec) tetra-anion and two water mol-ecules to generate a distorted cis-NiN(2)O(4) octa-hedral coordination geom ...[more]

PMID: 22412420

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Project description:In the title complex, [Ni(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·4H(2)O, the Ni(II) ion is coordinated in a slightly distorted octa-hedral environment formed by two bis-chelating H(2)pimda (H(3)pimda is 2-propyl-1H-4,5-dicarb-oxy-lic acid) ligands and two coordinated water mol-ecules. In the crystal structure, a three-dimensional framework is formed by inter-molecular O-H?O and N-H?O hydrogen bonds involving the solvent water mol-ecules, coordinated water mol-ecules, carboxyl-ate O atoms and the protonated N atoms of the H(2)pimda ligands. The propyl groups of each H(2)pimda ligand are disordered over two sets of sites with refined occupancies of 0.50?(2):0.50?(2) and 0.762?(11):0.238?(11). In one water solvent mol-ecule, one of the H atoms was refined as disordered over two sites of equal occupancy.

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