The Crystal and Molecular Structure of trans-Dichloro-mer-trans-bis (triisopropylphosphine)(phosphine)hydridoiridium(III)

Abstract

The structure of mer-trans-(PPrⁱ₃)₂(PH₃)H-trans-Cl₂Ir^III (1) (Prⁱ = isopropyl), the second third-row transition-metal-PH₃ complex to be so characterized, has been determined by single-crystal X-ray diffraction analysis. Crystals are monoclinic, space group C 2/c with a 21.701(2), b 8.735(1), c 15.594(1) Ǻ, β 119.57(1)° and Z 4. Structure refinement by full-matrix least-squares analysis (2811 reflections, 113 parameters) converged with R = 0.016 and Rw = 0.022. Molecules exhibit crystallographically imposed C₂ symmetry. The C₂ axis passes through the iridium, hydride and PH₃ phosphorus atoms, and requires the PH₃ hydrogen atoms to be disordered. Important molecular dimensions are Ir-PPrⁱ₃ 2.371(1) Ǻ, Ir-PH₃ 2.362(1) Ǻ, Ir-Cl 2.374(1) Ǻ and P- Ir -P(trans) 163.21(3)°.