Crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)copper(III) triiodide

Abstract

The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)-copper(III) triiodide, Cu(SgCN(CeH9)g)g+Ia -, has been determined from a singlecrystal X-ray diffraction study. The monoclinic unit cell, space group P2~/c, a = 14.026(6), b = 8"62(1), e = 25"015(9) ~, fl = 95"35(5) ~ contains four formulaentities. Three-dimensional intensity data were obtained from Weissenberg photographs. Atomic parameters were refined by full-matrix least-squares methods to a conventional R value of 0.083 for 950 independent non-zero reflexions. The structure contains two symmetry-independent cations. In both cations, the copper atom is in planar coordination with four sulphur atoms, the mean Cu(III)--S bond length being 2.22(2)/~. Cu(III)--S distances are about 0.08/~ less than Cu(II)--S distances in comparable complexes.