Information card for entry 4104108

Structure parameters

• Formula: C37 H30 F O P2 Rh
• Calculated formula: C37 H30 F O P2 Rh
• SMILES: [Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(F)C#[O]
• Title of publication: Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3
• Authors of publication: Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4236 - 4238
• a: 9.261 ± 0.004 Å
• b: 10.51 ± 0.004 Å
• c: 18.064 ± 0.007 Å
• α: 76.432 ± 0.008°
• β: 80.403 ± 0.019°
• γ: 65.506 ± 0.008°
• Cell volume: 1550.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No