Information card for entry 1551981

Structure parameters

• Formula: C72 H93 Al F36 Ga N2 O4 P2 Rh
• Calculated formula: C72 H93 Al F36 Ga N2 O4 P2 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: 18.3055 ± 0.0004 Å
• b: 20.3348 ± 0.0005 Å
• c: 22.683 ± 0.0005 Å
• α: 95.335 ± 0.002°
• β: 90.4516 ± 0.0018°
• γ: 93.0358 ± 0.0018°
• Cell volume: 8394.4 ± 0.3 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: 0.0887
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections: 0.2101
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No