CRYSTAL AND MOLECULAR-STRUCTURE OF NICKEL(II) DICYANOTHIOSEMICARBAZIDE MONOHYDRATE

The structure of the title compound (Ni(CN)2(CH5N3S) . H2O) has been determined, from X-ray diffractometer data, by the heavy-atom method and refined by least-squares. The final R-values, based on 3109 observed reflections, are R = 0.035 and R(w) = 0.039. The complex has square-planar geometry with two adjacent cyano carbon atoms (Ni-C, 1.838(2) angstrom and 1.862(2) angstrom) and thiosemicarbazide sulfur and nitrogen atom (Ni-S, 2.169(1) angstrom and Ni-N, 1.923(2) angstrom). The water molecule does not enter the inner coordination sphere of the nickel atom; however, it plays a very important role in the crystal structure. Water is coordinated by hydrogen bonds to four adjacent complex units.