Information card for entry 4130935

Structure parameters

• Chemical name: H8-2-290K
• Formula: C65 H72 B F24 P2 Rh
• Calculated formula: C65 H72 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: 19.1 ± 0.002 Å
• b: 18.289 ± 0.0009 Å
• c: 27.926 ± 0.003 Å
• α: 90°
• β: 134.55 ± 0.02°
• γ: 90°
• Cell volume: 6952 ± 3 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1879
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8662
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No