Information card for entry 7039093

Structure parameters

• Formula: C18 Cl10 F5 P
• Calculated formula: C18 Cl10 F5 P
• SMILES: Clc1c(Cl)c(Cl)c(P(c2c(F)c(F)c(F)c(F)c2F)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
• 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: 8.6247 ± 0.0006 Å
• b: 13.0708 ± 0.001 Å
• c: 13.251 ± 0.001 Å
• α: 81.217 ± 0.004°
• β: 71.522 ± 0.004°
• γ: 89.82 ± 0.004°
• Cell volume: 1398.55 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No