Information card for entry 7122589

Structure parameters

• Formula: C35 H31 B Br F10 P Si
• Calculated formula: C35 H31 B Br 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: 9.6668 ± 0.0002 Å
• b: 20.0637 ± 0.0004 Å
• c: 19.4399 ± 0.0003 Å
• α: 90°
• β: 95.326 ± 0.002°
• γ: 90°
• Cell volume: 3754.13 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No