Information card for entry 4102764

Structure parameters

• Formula: C86 H86 B2 F24 N5 Rh
• Calculated formula: C86 H86 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: 13.0947 ± 0.0001 Å
• b: 36.5759 ± 0.0001 Å
• c: 54.0064 ± 0.0002 Å
• α: 90°
• β: 93.2135 ± 0.00018°
• γ: 90°
• Cell volume: 25825.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1276
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections: 0.2065
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9618
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No