Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


metal-organic compounds



is5263 scheme

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

Tris([mu]4-azepane-1-carbodithioato)bis([mu]3-azepane-1-carbodithioato)-[mu]9-bromido-tetra-[mu]2-bromido-octacopper(I)copper(II)

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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