The crystal and molecular structure of μDithiocyanatotetrakis(methyldiphenylphosphine)dicopper(I)

Abstract

The crystal and molecular structure of Dithiocyanatotetrakis (methyldiphenylphosphine)dicopper(I) [CuNCS(PCH3(C6H5)2)2]2 has been determined from three-dimensional X-ray data collected from a single crystal. The material crystallizes in the space group P1 of the triclinic system with two molecules in a cell of dimensions a=10.32 0.02, b=11.24 0.02, c = 12.00 0.02 Å, a=90.4 0.1°, The observed density of 1.36 0.02 g/cm3 agrees well with the calculated density of 1.36 g/cm3. Intensity data were collected on multiple films by the integrated equi-inclination Weissenberg technique The structure was refined by full-matrix least-squares methods to a final R Factor of 8.7 percent for 1195 non-zero independent reflections. The complex exists as a dimer in the solid state in which the thiocyanates bridge the two copper atoms. The two thiocyanate moieties and the copper atoms form an eight membered ring which is only approximately planar. The geometry around the copper atom can be described as a higly distorted tetrahedron.