Information card for entry 4001479

Structure parameters

• Common name: 04088bbb
• Chemical name: N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]
• Formula: C9 H16 F6 N2 O4 S2
• Calculated formula: C9 H16 F6 N2 O4 S2
• SMILES: FC(S(=NS(C(F)(F)F)(=O)=O)(=O)[O-])(F)F.CC[N+]1(C)CCCC1
• Title of publication: Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
• Authors of publication: Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 934 - 938
• a: 13.099 ± 0.003 Å
• b: 14.454 ± 0.003 Å
• c: 16.987 ± 0.004 Å
• α: 90°
• β: 97.546 ± 0.004°
• γ: 90°
• Cell volume: 3188.3 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1613
• 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: No