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Crystal structure of -tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κ]pyridin-4-yl-κ}iridium(III) di-chloro-methane hemisolvate -hexane hemisolvate. | LitMetric

Crystal structure of -tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κ]pyridin-4-yl-κ}iridium(III) di-chloro-methane hemisolvate -hexane hemisolvate.

Acta Crystallogr E Crystallogr Commun

Division of Science Education & Department of Chemistry, Kangwon National University, Chuncheon 24341, Republic of Korea.

Published: December 2017

The asymmetric unit of the title compound, [Ir(CHFN)]·0.5CH(CH)CH·0.5CHCl, comprises one Ir atom, three 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an -hexane and a di-chloro-methane solvent mol-ecule located about crystallographic inversion centres. The Ir atom displays a distorted octa-hedral coordination geometry, having three ,-chelating 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The Ir ion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. The average distance [2.041 (3) Å] of Ir-C bonds is slightly shorter than that [2.076 (3) Å] of Ir-N bonds. A variety of intra- and inter-molecular C-H⋯F and C-H⋯π hydrogen bonds, as well as inter-molecular C-F⋯π inter-actions, contribute to the stabilization of the mol-ecular and crystal structures, and result in the formation of a two-dimensional network parallel to the plane. No inter-actions between -hexane solvent mol-ecules and the other components in the title compound are observed.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730259PMC
http://dx.doi.org/10.1107/S2056989017016759DOI Listing

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