Information card for entry 4112324

Structure parameters

• Formula: C48 H40 Cl F P3 Rh
• Calculated formula: C48 H40 Cl F P3 Rh
• SMILES: [Rh](Cl)([P](F)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation
• Authors of publication: Vladimir V. Grushin; William J. Marshall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3068 - 3069
• a: 12.3701 ± 0.0012 Å
• b: 20.38 ± 0.002 Å
• c: 15.7908 ± 0.0016 Å
• α: 90°
• β: 94.235 ± 0.002°
• γ: 90°
• Cell volume: 3970 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No