Information card for entry 7043909

Structure parameters

• Formula: C49.5 H55 B Cl F10 O P
• Calculated formula: C49.5 H55 B Cl F10 O P
• Title of publication: Hydroboration route to geminal P/B frustrated Lewis pairs with a bulky secondary phosphane component and their reaction with carbon dioxide
• Authors of publication: Erker, Gerhard; Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin Gabriel; Wibbeling, Birgit
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.1681 ± 0.0004 Å
• b: 11.2709 ± 0.0004 Å
• c: 19.6602 ± 0.0008 Å
• α: 76.834 ± 0.002°
• β: 75.265 ± 0.002°
• γ: 84.21 ± 0.002°
• Cell volume: 2328 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No