Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m337-m338    [ doi:10.1107/S1600536813013329 ]

Di-[mu]-azido-di­azidodi-[mu]-oxalato-di­histamine­tetra­copper(II) 0.9-hydrate

C. Liu and K. A. Abboud

Abstract: The title compound, [Cu4(C2O4)2(N3)4(C5H9N3)2]·0.9H2O, contains a tetranuclear CuII-based molecule composed of two oxalate-bridged CuII dimers linked through end-on azide ions and related by an inversion center. The tetranuclear unit contains two crystallographically independent CuII ions. One CuII ion coordinates to two N atoms of a histamine mol­ecule, two O atoms of a bridging oxalate ligand, and an N atom of an end-on bridging azide ligand, leading to an elongated square-pyramidal coordination geometry in which the azide ion occupies the axial position. The other CuII ion, which has a square-planar coordination geometry, is coordinated by two O atoms of a bridging oxalate ligand and two N atoms of two different azide ligands, one which is bridging. In the crystal, a two-dimensional network parallel to (010) is formed by N-H...N and N-H...O hydrogen bonds. A partially occupied solvent water mol­ecule refined to an occupancy of 0.447 (5). Two of the azide ligands were refined as disordered over two sets of sites with refined occupancies in the ratios 0.517 (8):0.483 (8) and 0.553 (5):0.447 (5).

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