Information card for entry 4104107

Structure parameters

• Formula: C55 H45 F3 P3 Rh
• Calculated formula: C55 H45 F3 P3 Rh
• SMILES: [Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
• 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: 19.926 ± 0.003 Å
• b: 12.729 ± 0.0016 Å
• c: 17.631 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4471.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No