Crystal and molecular structure of monoclinic di-µ-chloro-tris(triphenylphosphine)dicopper(I), Cu2Cl2(PPh3)3

Abstract

The structure of di-µ-chloro-tris(triphenylphosphine)dicopper(I), Cu₂Cl₂(PPh₃)₃ has been determined from three-dimensional X-ray data collected by counter methods. The crystals are monoclinic, space-group P2₁/c and have Z= 4 in a unit cell of dimensions a= 19·27(2), b= 9·81(1), c= 27·02(3)Å, β= 112° 5′(8′). The structure was refined to R 0·055 for 2046 independent reflections. The crystal contains discrete molecules in which two copper atoms are held together by two chlorine bridges. Two of the three phosphine ligands are bonded to one of the copper atoms and the third to the other, so that one metal atom is four-and the other three-co-ordinate. The mean values for the bonds to four- and three-co-ordinate copper are Cu–P 2·240 and 2·183, and Cu–Cl 2·436 and 2·272 Å. These values and certain angular distortions found in the molecule are discussed.