Information card for entry 7105620

Structure parameters

• Chemical name: Bis(trimethylsilyl)trifluoromethylsulfonium tetrakis(pentafluorophenyl)borate
• Formula: C31 H18 B F23 O3 S Si2
• Calculated formula: C31 H18 B F23 O3 S Si2
• SMILES: [S+](O[Si](C)(C)C)(O[Si](C)(C)C)(=O)C(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)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Preparation and characterization of [CF3SO3(SiMe3)2]+[B(C6F5)4]-.
• Authors of publication: Schulz, Axel; Thomas, Johannes; Villinger, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3696 - 3698
• a: 10.319 ± 0.006 Å
• b: 13.3 ± 0.007 Å
• c: 15.086 ± 0.009 Å
• α: 68.287 ± 0.01°
• β: 82.484 ± 0.012°
• γ: 76.86 ± 0.02°
• Cell volume: 1870.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No