Information card for entry 7039097

Structure parameters

• Formula: C18 H10 Cl5 F2 P
• Calculated formula: C18 H10 Cl5 F2 P
• SMILES: P(F)(F)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1ccccc1)c1ccccc1
• 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: 11.285 ± 0.0004 Å
• b: 10.8896 ± 0.0004 Å
• c: 30.4034 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3736.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.03 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No