Crystal Structure of mer-(PMe3)-trans(PEt3)(PPri3)H-trans-Cl2Ir III at 146 K

Abstract

The structure of the novel mixed-phosphine complex mer(PMe₃)-trans(PEt₃)(PPrⁱ₃)H-trans-Cl₂Ir^III has been determined by single-crystal X-ray diffraction analysis at 146±3 K. Crystals are monoclinic, space group P 2₁/c, with a 7·414(4), b 15·073(3), c 9·796(2) Å, β 97·46(1) and Z 4. Structure refinement by constrained (2xC-C distances) full-matrix least-squares analysis (2378 unique reflections, 217 parameters) converged with R 0·049 and ωR 0·055. The PPrⁱ₃ ligand is face-to-face configured with the unique Prⁱ group eclipsing the hydride ligand. The PEt₃ ligand is asymmetrically configured with Ir-P-C-C torsion angles 174, –72 and –146°. Metal{ligand distances are: Ir{P(1,2,3) 2·366(4), 2·372(4), 2·306(4) Å; Ir-Cl(1,2) 2·386(4), 2·372(4) Å. The P-Ir-P(trans) angle is 157·2(1)°.