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Acta Cryst. (2005). E61, m1503-m1505  [ doi:10.1107/S1600536805021069 ]

The co-crystal tetraaquabis(2-oxido-3,5-dinitrobenzoato)bis(2-oxido-3,5-dinitrobenzoic acid)tricopper-diaquabis(2-hydroxy-3,5-dinitrobenzoato)(2-oxido-3,5-dinitrobenzoic acid)copper-water (0.54/0.92/4): a reformulation?

J.-R. Su and D.-J. Xu

Abstract: In the title compound, [Cu3(C7H3N2O7)2(C7H2N2O7)2(H2O)4]0.54[Cu(C7H3N2O7)2(H2O)2]0.92·4H2O, the CuII ion located on an inversion centre has a fractional site occupancy of 0.54. When this CuII ion is present, a trinuclear complex also involving two adjacent CuII ions arises; when it is not, then the result is two discrete mononuclear complexes. A very similar structure was reported previously by Valigura, Melnik, Koman, Martiska, Korabik, Mrozinski & Glowiak [Inorg. Chem. Commun. (2004), 7, 548-552]. However, in their material, arising from a different synthesis, the CuII ion with \\overline{1} site symmetry is fully occupied, and thus only a trinuclear complex is formed. Here, the mononuclear CuII complex assumes a square-pyramidal coordination geometry, formed by two water molecules and two 3,5-dinitrosalicylate anions, one of which is monodentate and the other bidentate.

Online 9 July 2005

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