Crystal structures of transition-metal aryls. Part IV. trans-Bis-(methyldiphenylphosphine)-(σ-pentachlorophenyl)-(σ-pentafluorophenyl)nickel(II)

Abstract

The title compound crystallizes in the centrosymmetric monoclinic space group C2/c with a= 15·822 ± 0·013, b= 16·888 ± 0·012, c= 15·375 ± 0·009 Å, β= 114·16 ± 0·03°, and Z= 4. A single-crystal X-ray structural analysis, based on full three-dimensional counter data, has resulted in the location of all atoms except the hydrogens of the methyl groups. The final R is 4·91% for 1604 independent non-zero reflections. The molecule possesses precise C₂ symmetry, the nickel atom being in (slightly distorted) square-planar co-ordination. An unexpected result of the analysis is that the Ni–C₆Cl₅ bond (1·905 ± 0·010 Å) is significantly (>5σ) shorter than the Ni–C₆F₅ bond (1·978 ± 0·010 Å).