Synthesis, crystal structure and Hirshfeld surface analysis of [bis-(di-phenyl-phosphan-yl)methane-κP]chloridobis-[2-(pyridin-2-yl)phenyl-κ2 N,C 1]iridium(III).

The title IrIII complex, [Ir(C11H8N)2Cl(C25H22P2)], was synthesized from the substitution reaction between the (ppy)2Ir(μ-Cl)2Ir(ppy)2 (ppy = deprotonated 2-phenyl-pyridine, C11H8N-) dimer and 1,1-bis-(di-phenyl-phosphan-yl)methane (dppm, C25H22P2) under an argon gas atmosphere for 20 h. The IrIII atom is coordinated by two C,N-bidentate ppy anions, a unidentate dppm ligand and a chloride anion in a distorted octa-hedral IrC2N2PCl arrangement. The N donor atoms of the ppy ligands are mutually trans while the C atoms are cis. Intra-molecular aromatic π-π stacking between the phenyl rings of ppy and dppm, and C-H⋯Cl inter-actions are observed. In the crystal, C-H⋯Cl and C-H⋯π contacts link the mol-ecules into a three-dimensional network. A Hirshfeld surface analysis was carried out to further qu-antify the inter-molecular inter-actions, and indicated that H⋯H contacts (63.9%) dominate the packing. © Klaimanee et al. 2021.