Information card for entry 4064793

Structure parameters

• Formula: C45 H35 B Cl2 F6 O2 P2 Rh Sb
• Calculated formula: C45 H35 B Cl2 F6 O2 P2 Rh Sb
• Title of publication: Lewis Acids and Lewis Acid-Functionalized Ligands in Rhodium-Catalyzed Methyl Acetate Carbonylation
• Authors of publication: Conifer, Christopher M.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4060
• a: 18.4627 ± 0.0003 Å
• b: 15.58519 ± 0.00017 Å
• c: 15.9429 ± 0.0002 Å
• α: 90°
• β: 110.062 ± 0.0017°
• γ: 90°
• Cell volume: 4309.14 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No