Information card for entry 4102766

Structure parameters

• Formula: C87.84 H90.41 B2 F24 Ir N5
• Calculated formula: C87.85 H90.44 B2 F24 Ir N5
• 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: 13.0196 ± 0.0001 Å
• b: 16.2636 ± 0.0001 Å
• c: 41.958 ± 0.003 Å
• α: 86.1769 ± 0.0002°
• β: 89.9547 ± 0.0002°
• γ: 84.5651 ± 0.0002°
• Cell volume: 8824.7 ± 0.6 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: 0.0963
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.1652
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No