Information card for entry 4073780

Structure parameters

• Formula: C58 H75 Ir N3 O
• Calculated formula: C58 H42 Ir N3 O
• Title of publication: Alkyl and Aryl Compounds of Rhodium(III) and Iridium(III) Supported by 4,4‘-Di-tert-butyl-2,2‘-bipyridyl
• Authors of publication: Sau, Yiu-Keung; Chan, Ka-Wang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6338
• a: 12.8551 ± 0.0007 Å
• b: 17.4188 ± 0.001 Å
• c: 22.928 ± 0.0013 Å
• α: 90°
• β: 103.181 ± 0.001°
• γ: 90°
• Cell volume: 4998.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No