Information card for entry 4113840

Structure parameters

• Formula: C15 H33 Cl P3 Rh
• Calculated formula: C15 H Cl P3 Rh
• SMILES: [RhH](Cl)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c1ccccc1
• Title of publication: Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons
• Authors of publication: Jun-Chul Choi; Toshiyasu Sakakura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7762 - 7763
• a: 9.787 ± 0.003 Å
• b: 11.944 ± 0.005 Å
• c: 17.892 ± 0.004 Å
• α: 90°
• β: 94.14 ± 0.02°
• γ: 90°
• Cell volume: 2086 ± 1.2 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.968
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No