Crystal and molecular structure of Ir 4(CO) 8[P(CH 3) 2C 6H 5] 4·2C 6H 6

Abstract

The strcture of Ir 4(CO) 8(PMe 2Ph) 4 has been determined by a single crystal X-ray investigation. The structure consists of a slightly distorted tetrahedral arrangement of Ir atoms with one phosphine ligand bonded to each metal atom. Three Ir atoms form an irregular basal triangular face symmetrically bridged by three carbonyl groups which are displaced out of the plane of the Ir atoms. The basal and apical Ir atoms have one and two terminal carbonyl groups respectively. Metal-metal bond distances are, Ir(basal)-Ir(basal) 2.726(3), 2.737(3) and 2.782(3) Å; Ir(basal)-Ir(apical) 2.734(3), 2.730(3) and 2.727(3) Å. Crystals of the compound Ir 4(CO) 8[P(CH 3) 2C 6H 5] 4·2C 6H 6 have space group P2 1/ c with a 15.9068(21), b 10.2150(15), c 34.653(4) Å, β 94.288(10)° and Z = 4. Least squares refinement gave R = 0.095 for 3250 unique observed reflections whose intensities were measured by counter diffractometry with Mo- K α radiation.