Information card for entry 4000148

Structure parameters

• Chemical name: N,N,N,N-tetrakis(n-propyl)ammonium bis(trifluoromethylsulphonyl)amide
• Formula: C14 H28 F6 N2 O4 S2
• Calculated formula: C14 H28 F6 N2 O4 S2
• SMILES: FC(S(=NS(C(F)(F)F)(=O)=O)(=O)[O-])(F)F.CCC[N+](CCC)(CCC)CCC
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 9.7417 ± 0.0001 Å
• b: 22.8615 ± 0.0003 Å
• c: 10.0251 ± 0.0001 Å
• α: 90°
• β: 97.62 ± 0.001°
• γ: 90°
• Cell volume: 2213 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No