Information card for entry 7154025

Structure parameters

• Formula: C79 H63 B F24 Ir N2 P
• Calculated formula: C79 H63 B F24 Ir N2 P
• Title of publication: Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.
• Authors of publication: Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 40
• Pages of publication: 7927 - 7931
• a: 12.516 ± 0.0003 Å
• b: 14.3186 ± 0.0004 Å
• c: 20.8639 ± 0.0005 Å
• α: 84.989 ± 0.002°
• β: 77.642 ± 0.002°
• γ: 84.507 ± 0.002°
• Cell volume: 3627.04 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No