Information card for entry 4102755

Structure parameters

• Formula: C86 H86 B F24 Ir N4
• Calculated formula: C86 H86 B F24 Ir N4
• 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: 20.8509 ± 0.0001 Å
• b: 17.1103 ± 0.0001 Å
• c: 24.2437 ± 0.0002 Å
• α: 90°
• β: 104.181 ± 0.0002°
• γ: 90°
• Cell volume: 8385.72 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No