Information card for entry 4073777

Structure parameters

• Formula: C38 H49 N2 Rh
• Calculated formula: C38 H49 N2 Rh
• SMILES: [Rh]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)(CC(C)(C)c1ccccc1)CC(C)(C)c1c2cccc1
• 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: 11.2443 ± 0.0008 Å
• b: 11.9747 ± 0.0009 Å
• c: 13.7764 ± 0.001 Å
• α: 106.461 ± 0.001°
• β: 102.615 ± 0.001°
• γ: 102.157 ± 0.001°
• Cell volume: 1660.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No