Information card for entry 2311546

Structure parameters

• Chemical name: <i>mer</i>-Tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i>^4^}iridium(III) dichloromethane hemisolvate <i>n</i>-hexane hemisolvate
• Formula: C54.5 H41 Cl F6 Ir N6
• Calculated formula: C54.5 H41 Cl F6 Ir N6
• Title of publication: Crystal structure of <i>mer</i>-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κ<i>N</i>]pyridin-4-yl-κ<i>C</i>⁴}iridium(III) di-chloro-methane hemisolvate <i>n</i>-hexane hemisolvate.
• Authors of publication: Kang, Youngjin; Park, Ki-Min; Kim, Jinho
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1952 - 1955
• a: 12.5753 ± 0.0002 Å
• b: 14.4054 ± 0.0003 Å
• c: 14.8668 ± 0.0003 Å
• α: 117.068 ± 0.0005°
• β: 101.934 ± 0.0006°
• γ: 97.2102 ± 0.0006°
• Cell volume: 2270.58 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No