Information card for entry 4120592

Structure parameters

• Formula: C63 H35 B2 F30 O2 P
• Calculated formula: C63 H35 B2 F30 O2 P
• Title of publication: Probing site cooperativity of frustrated phosphine/borane lewis pairs by a polymerization study.
• Authors of publication: Xu, Tieqi; Chen, Eugene Y.-X.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1774 - 1777
• a: 12.4874 ± 0.0006 Å
• b: 14.509 ± 0.0007 Å
• c: 32.8803 ± 0.0015 Å
• α: 90°
• β: 95.954 ± 0.002°
• γ: 90°
• Cell volume: 5925.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No