Information card for entry 1562852

Structure parameters

• Formula: C79 H56 B F24 O5 P2 Rh
• Calculated formula: C79 H56 B F24 O5 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: 12.9929 ± 0.0004 Å
• b: 16.2926 ± 0.0006 Å
• c: 17.9735 ± 0.0006 Å
• α: 82.461 ± 0.003°
• β: 84.317 ± 0.003°
• γ: 84.684 ± 0.003°
• Cell volume: 3741.1 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No