Information card for entry 4301323

Structure parameters

• Formula: C47.5 H39 Cl F6 I N P3 Rh
• Calculated formula: C47.5 H39 Cl F6 I N P3 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: 12.6321 ± 0.0003 Å
• b: 20.3275 ± 0.0004 Å
• c: 17.1309 ± 0.0004 Å
• α: 90°
• β: 91.533 ± 0.001°
• γ: 90°
• Cell volume: 4397.28 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No