Information card for entry 4001480

Structure parameters

• Common name: 04086bb
• Chemical name: N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase III]
• Formula: C9 H16 F6 N2 O4 S2
• Calculated formula: C9 H16 F6 N2 O4 S2
• SMILES: [N+]1(CCCC1)(C)CC.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• 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: 8.5425 ± 0.0014 Å
• b: 9.6978 ± 0.0016 Å
• c: 11.2219 ± 0.0018 Å
• α: 88.487 ± 0.003°
• β: 73.119 ± 0.003°
• γ: 68.294 ± 0.003°
• Cell volume: 823.1 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No