Information card for entry 1518599

Structure parameters

• Formula: C59.25 H28.5 B Cl2.5 F23 P2
• Calculated formula: C58 H26 B F23 P2
• SMILES: c1ccc2c(c(ccc2)[P+](c2ccccc2)(c2ccccc2)F)c1P(c1ccccc1)(c1ccccc1)(F)F.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 18.8002 ± 0.0009 Å
• b: 17.1372 ± 0.001 Å
• c: 17.8001 ± 0.0009 Å
• α: 90°
• β: 102.564 ± 0.002°
• γ: 90°
• Cell volume: 5597.6 ± 0.5 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No