Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m275-m276    [ doi:10.1107/S1600536813009938 ]


T. Okubo, H. Anma, M. Maekawa and T. Kuroda-Sowa

Abstract: The reaction of Cu(Hm-dtc)2 (H2m-dtc is azepane-1-carbodi­thioic acid), CuBr2 and methyl iso­thio­cyanate yielded the title mixed-valence nona­nuclear CuI/CuII compound, [Cu9Br5(C7H12NS2)5] or [CuI8CuIIBr5(Hm-dtc)5], encapsulating a bromide anion in the center of the Cu9Br4S10 cluster cage. The cage consists of a mononuclear CuII unit [Cu(Hm-dtc)2], three [mu]4-bridging Hm-dtc- ligands, eight CuI ions with distorted tetra­hedral or trigonal pyramidal coordination geometries and four [mu]2-bridging bromide anions. The incorporated central bromide anion inter­acts with nine Cu ions with shorter Cu-Br separations than the sum of the van der Waals radii for Cu and Br.

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