Information card for entry 7043912

Structure parameters

• Formula: C34.5 H28 B Cl F10 N P S
• Calculated formula: C34.5 H28 B Cl F10 N P S
• 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: 25.031 ± 0.002 Å
• b: 12.0655 ± 0.0013 Å
• c: 24.693 ± 0.002 Å
• α: 90°
• β: 116.48 ± 0.002°
• γ: 90°
• Cell volume: 6675.2 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No