Information card for entry 1562854

Structure parameters

• Formula: C87 H72 B F24 O P2 Rh
• Calculated formula: C87 H72 B F24 O 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: 20.4389 ± 0.0001 Å
• b: 18.0447 ± 0.0001 Å
• c: 24.4986 ± 0.0002 Å
• α: 90°
• β: 113.562 ± 0.001°
• γ: 90°
• Cell volume: 8282.12 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No