Information card for entry 7040545

Structure parameters

• Formula: C70 H54 B F4 O6 P2 Rh
• Calculated formula: C70 H54 B F4 O6 P2 Rh
• Title of publication: A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.
• Authors of publication: Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15660 - 15670
• a: 11.7059 ± 0.0002 Å
• b: 16.9283 ± 0.0003 Å
• c: 17.995 ± 0.0004 Å
• α: 73.4211 ± 0.0018°
• β: 73.7906 ± 0.0017°
• γ: 89.1816 ± 0.0015°
• Cell volume: 3273.52 ± 0.12 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No