Information card for entry 4113839

Structure parameters

• Formula: C16 H32 O3 P3 Rh
• Calculated formula: C16 H32 O3 P3 Rh
• SMILES: [Rh]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(OC(=O)O1)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: 22.597 ± 0.003 Å
• b: 22.597 ± 0.003 Å
• c: 8.705 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4445 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.714
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No