Information card for entry 7034391

Structure parameters

• Formula: C42 H12 B F24 P
• Calculated formula: C42 H12 B F24 P
• SMILES: [P+](c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)F.c1(c(c(c(c(c1F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F)F
• Title of publication: Synthesis and Lewis acidity of fluorophosphonium cations.
• Authors of publication: Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12256 - 12264
• a: 23.5578 ± 0.0009 Å
• b: 11.298 ± 0.0004 Å
• c: 15.6731 ± 0.0005 Å
• α: 90°
• β: 115.718 ± 0.002°
• γ: 90°
• Cell volume: 3758.3 ± 0.2 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0555
• 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