Crystal and molecular structure of chlorobis-[2-(diphenoxyphosphino-oxy)phenyl](triphenyl phosphite)iridium(III), formed by metallation of two tertiary phosphite ligands

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Abstract
The structure of the title complex has been determined from three-dimensional X-ray diffractometer data. The compound crystallizes in the space group P with Z= 2 in a cell of dimensions: a= 10·96, b= 19·20, c= 12·12 Å, α= 95·9, β= 108·0, and γ= 90·7°. The structure was solved by Patterson and Fourier methods and refined by least-squares, using 5780 observed reflections, to R 0·052. The structure consists of independent monomeric units. The iridium atom is in a distorted octahedral environment with three phosphorus atoms, two ortho-carbon atoms of the triphenyl phosphite groups, and one chloride ion acting as ligands. Cleavage of two β-C–H bonds and subsequent formation of Ir–C bonds is confirmed. Metal–ligand bond lengths are: Ir–C 2·09 and 2·12, Ir–P(trans to C) 2·268 and 2·291, Ir–P(trans to Cl) 2·194, and Ir–Cl 2·416 Å. A shortening of the Ir–P bonds of ca. 0·08 Å compared with equivalent bonds in triphenylphosphine complexes is discussed, as are the angular deformations of the phenyl rings.

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