Information card for entry 7047086

Structure parameters

• Formula: C52.67 H14.33 B Cl1.33 F39 P
• Calculated formula: C52.6667 H14.3333 B Cl1.33333 F39 P
• Title of publication: Probing steric influences on electrophilic phosphonium cations: a comparison of [(3,5-(CF₃)₂C₆H₃)₃PF]⁺ and [(C₆F₅)₃PF]<sup/>.
• Authors of publication: LaFortune, James H. W.; Szkop, Kevin M.; Farinha, Farah E.; Johnstone, Timothy C.; Postle, Shawn; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11411 - 11419
• a: 43.866 ± 0.007 Å
• b: 17.754 ± 0.003 Å
• c: 24.228 ± 0.004 Å
• α: 90°
• β: 117.574 ± 0.003°
• γ: 90°
• Cell volume: 16725 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No