Information card for entry 4114050

Structure parameters

• Formula: C71.47 H58 B Cl1.42 F24 N O P Rh Si
• Calculated formula: C72 H58 B Cl3 F24 N O P Rh Si
• Title of publication: A Mechanistic Investigation of the Carbon-Carbon Bond Cleavage of Aryl and Alkyl Cyanides Using a Cationic Rh(III) Silyl Complex
• Authors of publication: Felicia L. Taw; Alexander H. Mueller; Robert G. Bergman; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9808 - 9813
• a: 10.3083 ± 0.0001 Å
• b: 19.7382 ± 0.0001 Å
• c: 37.0881 ± 0.0001 Å
• α: 90°
• β: 92.119 ± 0.001°
• γ: 90°
• Cell volume: 7541.05 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 10
• 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: 0.173
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for significantly intense reflections: 1.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No