Crystal structure of fac-{5-(hexyl­aza­nium­yl)meth­yl-2-(pyridin-2-yl)phenyl-κ2NC1}bis­2-(pyridin-2-yl)phenyl-κ2NC1iridium(III) chloride

摘要

The asymmetric unit of the title compound, fac-[Ir(C11H8N)2(C18H24N2)]Cl or fac-[Ir(ppy)2(Hppy-NC6)]Cl, contains two [Ir(ppy)2(ppy-NC6)](H⁺) cations, two Cl⁻ anions and disordered solvent. In each complex mol­ecule, the Ir^III ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one C,N-bidentate N-[4-(pyridin-2-yl)benz­yl]hexan-1-aminium ligand, leading to a distorted fac-octa­hedral coordination environment. In the crystal, the mol­ecules are linked by N—H⋯Cl, C—H⋯π and π–π inter­actions, forming a three-dimensional supra­molecular structure. The hexyl group of one mol­ecule is disordered over two orientations with a refined occupancy ratio of 0.412 (13):0.588 (13). The acetone and hexane solvent mol­ecules were found to be highly disordered and their contribution to the scattering was masked using the solvent-masking routine smtbx.mask in OLEX2 [Rees et al. (2005). Acta Cryst. D>61, 1299–1301]. These solvent mol­ecules are not considered in the given chemical formula and other crystal data.