Information card for entry 2210118

Structure parameters

• Chemical name: mer-Bis[2-(6-fluoro-3-methylquinoxalin-2-yl-κN^1^)phenyl][3-phenyl-5- (2-pyridyl-κN)-1,2,4-triazol-1-yl]iridium(III) dichloromethane disolvate
• Formula: C45 H33 Cl4 F2 Ir N8
• Calculated formula: C45 H33 Cl4 F2 Ir N8
• Title of publication: <i>mer</i>-Bis[2-(6-fluoro-3-methylquinoxalin-2-yl-κ<i>N</i>^1^)phenyl][3-phenyl-5-(2-pyridyl-κ<i>N</i>)-1,2,4-triazol-1-yl]iridium(III) dichloromethane disolvate
• Authors of publication: Jones, Peter G.; Ammermann, Sven; Daniliuc, Constantin; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2202 - m2204
• a: 19.1184 ± 0.0014 Å
• b: 12.539 ± 0.0008 Å
• c: 18.2869 ± 0.0012 Å
• α: 90°
• β: 110.521 ± 0.004°
• γ: 90°
• Cell volume: 4105.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes