Information card for entry 1562855

Structure parameters

• Formula: C81 H64 B F24 O2 P2 Rh
• Calculated formula: C81 H64 B F24 O2 P2 Rh
• Title of publication: Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.
• Authors of publication: Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 20.5769 ± 0.0002 Å
• b: 16.5065 ± 0.0001 Å
• c: 24.064 ± 0.0002 Å
• α: 90°
• β: 110.108 ± 0.001°
• γ: 90°
• Cell volume: 7675.2 ± 0.12 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No