Crystal and Molecular Structure of mer-cis-(PEt₂Ph)₂(PPrⁱ₃)H-trans-Cl₂Ir^III

Abstract

The structure of mer-cis-(PEt₂Ph)₂(PPrⁱ₃)H-trans-Cl₂Ir^III (4) has been determined by single-crystal X-ray diffraction analysis. Crystals are monoclinic, space group P2₁/c, with a 11.607(1), b 21.553(1), c 14.066(1) Ǻ, β 109.04(1)&3176; and Z 4. Structure refinement by full-matrix least-squares analysis (3244 unique reflections, 316 parameters) converged with R 0.034 and R_w 0.041. The PEt₂Ph ligands are similarly disposed to their PMe₂Ph counterparts in mer-cis-(PEt₂Ph)₂(PPrⁱ₃)H-trans-Cl₂Ir^III (2) but the PPrⁱ₃ ligands are differently oriented and differently configured. Metal-ligand distances [ Ir -P(1,2,3) 2.333(2), 2.404(2), 2.368(2) Ǻ; Ir-Cl (1,2) 2.388(2), 2.400(2) Ǻ] are all within c. 0.02 Ǻ of those in (2). The P-Ir -P(trans) angle is 155.3(1)°.