Information card for entry 1518598

Structure parameters

• Formula: C58 H26 B F21 P2
• Calculated formula: C58 H26 B F21 P2
• SMILES: [P+]1(P(F)(c2ccccc2)(c2cccc3cccc1c23)c1ccccc1)(c1ccccc1)c1ccccc1.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 bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines
• Authors of publication: Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 2016
• a: 8.4256 ± 0.0012 Å
• b: 21.123 ± 0.003 Å
• c: 13.804 ± 0.002 Å
• α: 90°
• β: 95.055 ± 0.007°
• γ: 90°
• Cell volume: 2447.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No