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Crystal and molecular structure of [Cu2(3,5-dihydroxybenzoate)4 (acetonitrile)2] ⋅ 8H2O

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Abstract

The crystal and molecular structure of the title compound, [Cu2(3,5-dihydroxybenzoate)4 (acetonitrile)2] ⋅ 8H2O 1, is reported. Crystal data for 1: tetragonal, space group I 4/m, a = 11.720(2) Å, c = 15.304(3) Å, V = 2102.4(6), and D c = 1.53 g/cm3, for Z = 2. The metal and organic components crystallize to form a Cu paddle-wheel complex, of idealized D4h symmetry, that assembles in the solid-state, along with eight equivalents of water, to form a 3D hydrogen-bonded network held together by O–H ⋅⋅⋅ O hydrogens bonds. The metal complexes pack to form a 2D layered structure.

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Correspondence to Leonard R. MacGillivray.

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Papaefstathiou, G.S., Darrow, B.G. & MacGillivray, L.R. Crystal and molecular structure of [Cu2(3,5-dihydroxybenzoate)4 (acetonitrile)2] ⋅ 8H2O. Journal of Chemical Crystallography 32, 191–195 (2002). https://doi.org/10.1023/A:1020291903742

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