Information card for entry 1551982

Structure parameters

• Formula: C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh
• Calculated formula: C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh
• Title of publication: Structural snapshots of concerted double E-H bond activation at a transition metal centre
• Authors of publication: Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 1256 - 1262
• a: 13.5818 ± 0.0002 Å
• b: 19.8497 ± 0.0003 Å
• c: 19.8951 ± 0.0003 Å
• α: 95.6299 ± 0.0012°
• β: 90.1027 ± 0.0013°
• γ: 91.1299 ± 0.0012°
• Cell volume: 5336.67 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9958
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No