Information card for entry 7154026

Structure parameters

• Formula: C53 H37 B F24 N2
• Calculated formula: C53 H37 B F24 N2
• 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: 20.4198 ± 0.0005 Å
• b: 11.9065 ± 0.0002 Å
• c: 23.6916 ± 0.0005 Å
• α: 90°
• β: 114.629 ± 0.003°
• γ: 90°
• Cell volume: 5236.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No