Information card for entry 1543462

Structure parameters

• Chemical name: 1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide
• Formula: C8 H11 F6 N3 O6 S2
• Calculated formula: C8 H11 F6 N3 O6 S2
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.O(n1c([n+](OC)cc1)C)C
• Title of publication: 1,3-Dimethoxy-2-methylimidazolium bis(trifluoromethanesulfonyl)imide
• Authors of publication: Partl, Gabriel; Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160824
• a: 12.4858 ± 0.0006 Å
• b: 14.0212 ± 0.0006 Å
• c: 9.848 ± 0.0004 Å
• α: 90°
• β: 98.179 ± 0.001°
• γ: 90°
• Cell volume: 1706.51 ± 0.13 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes