Information card for entry 4065297

Structure parameters

• Formula: C43 H39 B Cl4 F4 I O2 P2 Rh
• Calculated formula: C43 H39 B Cl4 F4 I O2 P2 Rh
• Title of publication: Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation
• Authors of publication: Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6166
• a: 13.4161 ± 0.0017 Å
• b: 13.9972 ± 0.0018 Å
• c: 14.5737 ± 0.0019 Å
• α: 108.952 ± 0.002°
• β: 113.58 ± 0.002°
• γ: 101.357 ± 0.002°
• Cell volume: 2197.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No