Information card for entry 7043907

Structure parameters

• Formula: C34.5 H28 B Cl F10 N P
• Calculated formula: C34.5 H28 B Cl F10 N 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: 11.2145 ± 0.0003 Å
• b: 12.6515 ± 0.0003 Å
• c: 12.8136 ± 0.0004 Å
• α: 71.165 ± 0.001°
• β: 71.628 ± 0.001°
• γ: 81.508 ± 0.001°
• Cell volume: 1630.81 ± 0.08 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: 0.0453
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No