Information card for entry 2241811

Structure parameters

• Chemical name: Dimethylformamidium bis(trifluoromethanesulfonyl)amide
• Formula: C5 H8 F6 N2 O5 S2
• Calculated formula: C5 H8 F6 N2 O5 S2
• SMILES: S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.C[N+](C)=CO
• Title of publication: Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid
• Authors of publication: Cardenas, Allan Jay P.; O'Hagan, Molly
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1290 - 1292
• a: 9.0254 ± 0.0009 Å
• b: 11.4601 ± 0.0012 Å
• c: 12.3621 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1278.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes