Information card for entry 1544339

Structure parameters

• Chemical name: [(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide
• Formula: C7 H15 F6 N3 O4 S2
• Calculated formula: C7 H15 F6 N3 O4 S2
• SMILES: S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.[NH+](C)(C)CN(C)C
• Title of publication: [(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide
• Authors of publication: Hummel, Michael; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161658
• a: 8.5071 ± 0.0003 Å
• b: 20.9755 ± 0.0008 Å
• c: 8.9099 ± 0.0004 Å
• α: 90°
• β: 90.173 ± 0.003°
• γ: 90°
• Cell volume: 1589.88 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes