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Information card for entry 4000148
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| Coordinates | 4000148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
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