Information card for entry 4130936

Structure parameters

• Formula: C65 H70 B F24 P2 Rh
• Calculated formula: C65 H70 B F24 P2 Rh
• Title of publication: Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.
• Authors of publication: Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 40
• Pages of publication: 13369 - 13378
• a: 12.8281 ± 0.0007 Å
• b: 13.1804 ± 0.0007 Å
• c: 19.8019 ± 0.0006 Å
• α: 93.895 ± 0.003°
• β: 91.116 ± 0.003°
• γ: 94.19 ± 0.004°
• Cell volume: 3330.4 ± 0.3 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: 0.1228
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections: 0.2826
• Weighted residual factors for significantly intense reflections: 0.2648
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9951
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No