TY - JOUR
T1 - Crystal structure of trans-dithiocyanatotetrakis-(NN′- diethylthiourea)-nickel(II)
AU - Amzel, L. M.
AU - Baggio, S.
AU - Becka, L. N.
N1 - Copyright:
Copyright 2007 Elsevier B.V., All rights reserved.
PY - 1969
Y1 - 1969
N2 - 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 Å, 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 Å, average values for lengths in SC(NHEt)2 are C=S 1·733, C-N 1·323, N-CH2 1·473, CH2-CH2 1·558 Å, 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.
AB - 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 Å, 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 Å, average values for lengths in SC(NHEt)2 are C=S 1·733, C-N 1·323, N-CH2 1·473, CH2-CH2 1·558 Å, 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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U2 - 10.1039/J19690002066
DO - 10.1039/J19690002066
M3 - Article
AN - SCOPUS:37049114610
SN - 0022-4944
SP - 2066
EP - 2073
JO - Journal of the Chemical Society A: Inorganic, Physical, and Theoretical Chemistry
JF - Journal of the Chemical Society A: Inorganic, Physical, and Theoretical Chemistry
ER -