Information card for entry 7111847

Structure parameters

• Formula: C41 H46 B2 Cl N2 O P2 Rh
• Calculated formula: C41 H46 B2 Cl N2 O P2 Rh
• Title of publication: A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands
• Authors of publication: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1432
• a: 11.4921 ± 0.0015 Å
• b: 24.764 ± 0.004 Å
• c: 12.7559 ± 0.0017 Å
• α: 90°
• β: 90.621 ± 0.005°
• γ: 90°
• Cell volume: 3630 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No