Information card for entry 7203566

Structure parameters

• Common name: 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide
• Chemical name: 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide
• Formula: C8 H11 F6 N3 O4 S2
• Calculated formula: C8 H11 F6 N3 O4 S2
• SMILES: S(=O)([O-])(C(F)(F)F)=NS(=O)(=O)C(F)(F)F.n1(c[n+](cc1)C)CC
• Title of publication: In situ crystallization of ionic liquids with melting points below ?25 ?C
• Authors of publication: Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 742
• a: 18.499 ± 0.009 Å
• b: 8.626 ± 0.008 Å
• c: 19.255 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3073 ± 4 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No