Information card for entry 7043904

Structure parameters

• Formula: C36 H41 B F11 P
• Calculated formula: C36 H41 B F11 P
• SMILES: [PH2+](C(=C\C(C)(C)C)/[B](F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 12.3109 ± 0.0008 Å
• b: 19.7364 ± 0.0013 Å
• c: 14.8469 ± 0.001 Å
• α: 90°
• β: 95.708 ± 0.002°
• γ: 90°
• Cell volume: 3589.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No