摘要：

The structure of the complex Ni(NCS)2[S:C(NHEt)2]4 has been determined by three-dimensional X-ray diffraction at 293°K. It forms crystals of space group P21/c with a unit cell of dimensions a= 11·14, b= 17·26, c= 9·64 , and β= 100·6°, containing two centrosymmetric molecules. The atoms were located from three-dimensional Patterson and difference Fourier maps, and the structure was refined by full-matrix least-squares to R= 0·095 for 1360 measured independent reflections.The ligands are in an octahedral arrangement, with significant deviations from 90° in the angles subtended at the nickel atom, the angles being 88·2, 83·9, and 86·4°, the bond lengths are Ni–N(NCS) 1·993, Ni–S 2·493, and 2·562 , average values for lengths in SC(NHEt)2 are CS 1·733, C–N 1·323, N–CH2 1·473, CH2–CH2 1·558 , not significantly different from those found in other co-ordinated and free thioureas and substituted thioureas; in NCS, N–C 1·169 and C–S 1·636, are values very like those found in similar thiocyanates. There is evidence of the presence of a network of intra- and inter-molecular N–H S hydrogen-bonds.

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