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Acta Cryst. (2013). C69, 1437-1447  [ doi:10.1107/S0108270113030692 ]

Structure, magnetism and colour in simple bis­(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation

M. Schultz, P.-N. Plessow, F. Rominger and L. Weigel

Synopsis: The complex (dtbpe-[kappa]2P)NiI2 is close to square planar in the solid state but is neither diamagnetic nor red in colour. Its structure and magnetism have been investigated by a combination of experiment and density functional theory. Comparisons have been made with analogous compounds bearing different halides and different phosphine ligands. Observed trends in structure and colour have been reproduced theoretically and rationalized.

Formula: [NiCl2(C18H40P2)]·2CHCl3 and four related compounds


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