Information card for entry 4073782

Structure parameters

• Formula: C35 H36 Br0.6 Cl1.4 F6 Ir N3
• Calculated formula: C35 H36 Br0.6 Cl1.4 F6 Ir N3
• 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: 9.7671 ± 0.0008 Å
• b: 11.6876 ± 0.001 Å
• c: 16.2933 ± 0.0014 Å
• α: 72.435 ± 0.001°
• β: 79.732 ± 0.002°
• γ: 86.475 ± 0.002°
• Cell volume: 1744.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No