Crystal structure of fac-{5-[(hexyl-aza-nium-yl)meth-yl]-2-(pyridin-2-yl)phenyl-κ(2) N,C (1)}bis-[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) chloride.

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作者:Meksawangwong Sureemas, Jiajaroen Suwadee, Chainok Kittipong, Pinyo Waraporn, Kielar Filip
The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(-) anions and disordered solvent. In each complex mol-ecule, 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)benz-yl]hexan-1-aminium ligand, leading to a distorted fac-octa-hedral coordination environment. In the crystal, the mol-ecules are linked by N-H⋯Cl, C-H⋯π and π-π inter-actions, forming a three-dimensional supra-molecular structure. The hexyl group of one mol-ecule is disordered over two orientations with a refined occupancy ratio of 0.412†(13):0.588†(13). The acetone and hexane solvent mol-ecules 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. D61, 1299-1301]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

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