Information card for entry 7043911

Structure parameters

• Formula: C73 H80 B2 F20 O2 P2
• Calculated formula: C73 H80 B2 F20 O2 P2
• 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: 13.6152 ± 0.0005 Å
• b: 14.7429 ± 0.0005 Å
• c: 22.6757 ± 0.0007 Å
• α: 102.46 ± 0.002°
• β: 90.487 ± 0.002°
• γ: 117.418 ± 0.002°
• Cell volume: 3914.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1497
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No