Information card for entry 4319294

Structure parameters

• Formula: C63 H84 O6 P Rh
• Calculated formula: C49 H68 O6 P Rh
• SMILES: [Rh]1(OC(=CC(=[O]1)C)C)([P]12Oc3c(C(c4c(O1)c(C(C)(C)C)cc(C(C)(C)C)c4)c1c(O2)c(C(C)(C)C)cc(C(C)(C)C)c1)cc(cc3C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes
• Authors of publication: Maarten B. Dinger; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 856 - 864
• a: 13.9087 ± 0.0011 Å
• b: 26.103 ± 0.002 Å
• c: 15.4968 ± 0.0013 Å
• α: 90°
• β: 90.943 ± 0.002°
• γ: 90°
• Cell volume: 5625.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No