Information card for entry 4127375

Structure parameters

• Formula: C64 H68 B F24 P2 Rh
• Calculated formula: C64 H68 B F24 P2 Rh
• Title of publication: Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.
• Authors of publication: McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11700 - 11712
• a: 19.2893 ± 0.0002 Å
• b: 17.2828 ± 0.0001 Å
• c: 20.2622 ± 0.0001 Å
• α: 90°
• β: 91.149 ± 0.001°
• γ: 90°
• Cell volume: 6753.51 ± 0.09 ų
• Cell temperature: 249.99 ± 0.1 K
• Ambient diffraction temperature: 249.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No