Information card for entry 4315447

Structure parameters

• Common name: [Rh(CO)(TXPB)][PF6]
• Formula: C49 H50 B Cl2 F6 O P2 Rh S
• Calculated formula: C49 H50 B Cl2 F6 O P2 Rh S
• Title of publication: Diversity of Metal-Ligand Interactions in Halide (X = I, Br, Cl, F) and Halide-Free Ambiphilic Ligand Rhodium Complexes
• Authors of publication: Bradley E. Cowie; David J. H. Emslie; Hilary A. Jenkins; James F. Britten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4060 - 4072
• a: 13.7285 ± 0.0011 Å
• b: 13.7787 ± 0.001 Å
• c: 14.051 ± 0.0011 Å
• α: 69.059 ± 0.001°
• β: 84.633 ± 0.001°
• γ: 83.857 ± 0.001°
• Cell volume: 2463.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No