Information card for entry 4110441

Structure parameters

• Formula: C38 H51 Br N P2 Rh
• Calculated formula: C38 H51 Br N P2 Rh
• Title of publication: Carbon-Halide Oxidative Addition and Carbon-Carbon Reductive Elimination at a (PNP)Rh Center
• Authors of publication: Sylvain Gatard; Remle Çelenligil-Çetin; Chengyun Guo; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2808 - 2809
• a: 15.5666 ± 0.0013 Å
• b: 14.8684 ± 0.0014 Å
• c: 15.84 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3666.2 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No