Information card for entry 4301321

Structure parameters

• Formula: C54 H49.5 Br2 N1.5 O P2 Rh
• Calculated formula: C54 H48 Br2 N1.5 O P2 Rh
• Title of publication: Chelation-Assisted Carbon-Halogen Bond Activation by a Rhodium(I) Complex
• Authors of publication: Shanshan Chen; Yongxin Li; Jing Zhao; Xingwei Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1198 - 1206
• a: 12.0657 ± 0.0003 Å
• b: 18.4792 ± 0.0004 Å
• c: 20.7142 ± 0.0005 Å
• α: 90°
• β: 96.104 ± 0.001°
• γ: 90°
• Cell volume: 4592.35 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No