Information card for entry 7203567

Structure parameters

• Common name: 1-ethyl-3-methylimidazolium trifluoromethanesulfonate
• Chemical name: 1-ethyl-3-methylimidazolium trifluoromethanesulfonate
• Formula: C7 H11 F3 N2 O3 S
• Calculated formula: C7 H11 F3 N2 O3 S
• SMILES: S(=O)(=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: 10.183 ± 0.005 Å
• b: 12.384 ± 0.007 Å
• c: 18.294 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2307 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No