Information card for entry 7113888

Structure parameters

• Formula: C20 H10 B2 F15 P S
• Calculated formula: C20 H10 B2 F15 P S
• SMILES: [S](C)(C)[BH2][PH2][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: B(C6F5)3-catalyzed formation of B‒P bonds by dehydrocoupling of phosphine‒boranes
• Authors of publication: Denis, Jean-Marc; Forintos, Henrietta; Szelke, Helga; Toupet, Loic; Pham, Thi-Nhàn; Madec, Pierre-Jean; Gaumont, Annie-Claude
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 54 - 55
• a: 9.6926 ± 0.0004 Å
• b: 10.6562 ± 0.0005 Å
• c: 12.3789 ± 0.0007 Å
• α: 64.353 ± 0.002°
• β: 86.081 ± 0.002°
• γ: 84.137 ± 0.003°
• Cell volume: 1146.16 ± 0.1 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103616
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No