Information card for entry 4324848

Structure parameters

• Formula: C79 H99 Cl3 F3 Ir N6 O3
• Calculated formula: C79 H99 Cl3 F3 Ir N6 O3
• Title of publication: Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives
• Authors of publication: Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3354 - 3362
• a: 11.4361 ± 0.0004 Å
• b: 14.8212 ± 0.0005 Å
• c: 23.5183 ± 0.0008 Å
• α: 97.025 ± 0.008°
• β: 95.16 ± 0.008°
• γ: 108.059 ± 0.008°
• Cell volume: 3726.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No