Information card for entry 4318440

Structure parameters

• Formula: C6 H19 F2 N3 O S
• Calculated formula: C6 H19 F2 N3 O S
• SMILES: S(=O)(=[N+](C)C)(N(C)C)N(C)C.[F-][H]F
• Title of publication: Tris(dimethylamino)oxosulfonium Difluorotrimethylsilicate, (Me2N)3SO+Me3SiF2- (TAOS Fluoride)
• Authors of publication: Jens Wessel; Ulrich Behrens; Enno Lork; Tobias Borrmann; Wolf-Dieter Stohrer; Rüdiger Mews
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4715 - 4721
• a: 6.028 ± 0.001 Å
• b: 12.352 ± 0.001 Å
• c: 14.532 ± 0.001 Å
• α: 90°
• β: 101.33 ± 0.01°
• γ: 90°
• Cell volume: 1060.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.0937
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No