Information card for entry 4102760

Structure parameters

• Formula: C77 H74 B2 F24 N5 Rh
• Calculated formula: C77 H74 B2 F24 N5 Rh
• Title of publication: Dehydrogenation of Saturated CC and BN Bonds at Cationic N-Heterocyclic Carbene Stabilized M(III) Centers (M = Rh, Ir)
• Authors of publication: Christina Y. Tang; Amber L. Thompson; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10578 - 10591
• a: 12.3626 ± 0.0001 Å
• b: 18.0479 ± 0.0001 Å
• c: 18.2196 ± 0.0002 Å
• α: 85.7504 ± 0.0003°
• β: 89.6654 ± 0.0003°
• γ: 73.4166 ± 0.0003°
• Cell volume: 3884.84 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No