Crystal structure of (1-ethynylcyclohexanol)bis(triphenylphosphine)-platinum(0)

Abstract

The crystal structure of the title compound was determined by single-crystal X-ray analysis from diffractometer data. Crystals are triclinic, space group P, with a= 17.72(2), b= 17.44(2), c= 12.78(1)Å, α= 97.8(1), β= 101.6(1), γ= 86.9(1)°, and Z= 4. The structure was solved by the heavy-atom method and refined by least-squares constrained refinement to R 0.053 for 7 205 observed reflections. The two independent molecules in the asymmetric unit are isomers in that the acetylene group is equatorially bonded to the cyclohexane ring in one molecule but axially bonded in the other. The acetylene group is symmetrically co-ordinated to platinum in both molecules [mean Pt–C 2.074(7)Å] and adopts the usual cis-bent configuration. The co-ordination about platinum is approximately planar, the dihedral angles between the P,Pt,P and C,Pt,C planes in the two molecules being 6.7(8) and 7.2(7)°.