Information card for entry 7122588

Structure parameters

• Formula: C35 H31 B Cl F10 P Si
• Calculated formula: C35 H31 B Cl F10 P Si
• Title of publication: Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C₆F₅)₂ reagents.
• Authors of publication: Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 97
• Pages of publication: 13746 - 13749
• a: 10.9107 ± 0.0004 Å
• b: 17.0092 ± 0.0006 Å
• c: 18.4957 ± 0.0006 Å
• α: 90°
• β: 97.954 ± 0.001°
• γ: 90°
• Cell volume: 3399.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No