Information card for entry 4102761

Structure parameters

• Formula: C77 H74 B2 F24 Ir N5
• Calculated formula: C77 H74 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: 12.5131 ± 0.0001 Å
• b: 18.025 ± 0.0002 Å
• c: 18.3267 ± 0.0002 Å
• α: 92.2635 ± 0.0004°
• β: 109.9 ± 0.0004°
• γ: 92.5285 ± 0.0004°
• Cell volume: 3876.41 ± 0.07 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: 0.0523
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No