The crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex

Abstract

Well developed crystals of copper(I) thiocyanate, CuNCS, are formed by decomposition of Cu(NH3)2 (NCS)2 in aqueous solution. They belong to the orthorhombic system, the space group is Pbca, a = 10.994(9) A ̊, b = 7.224(3) A ̊; c = 6.662(2) A ̊, and there are eight formula units in a unit cell. The structure was refined by the method of full matrix least squares, yielding the value 0.062 for the R factor. All thiocyanate groups are approximately linear in the crystal structure and they are fourdentate, bonding in the form of bridges. Each copper atom is tetrahedrally coordinated by three sulphur atoms (the distances CuS being in the interval 2.34-2.37Å) and by the nitrogen atom (CuN = 1.93 Å). Each sulphur atom is tetrahedrally coordinated by three copper atoms and one carbon atom (SC = 1.70Å). The relation between the crystal structures of Cu(NH3)2(NCS)2 and CuNCS are discussed. © 1976.