Information card for entry 7039094

Structure parameters

• Formula: C42 H5 B Cl10 F21 O0 P
• Calculated formula: C42 H5 B Cl10 F21 P
• SMILES: Clc1c(Cl)c(Cl)c([P+](F)(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2)c(Cl)c1Cl.Fc1c(F)c(F)c(c(F)c1F)[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: Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.
• Authors of publication: Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14651 - 14657
• a: 11.8072 ± 0.0004 Å
• b: 20.1065 ± 0.0008 Å
• c: 21.837 ± 0.0007 Å
• α: 90°
• β: 100.528 ± 0.002°
• γ: 90°
• Cell volume: 5096.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1131
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No