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Information card for entry 2202560
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| Coordinates | 2202560.cif |
|---|---|
| Structure factors | 2202560.hkl |
| Original IUCr paper | HTML |
| Formula | C8 H16 F6 Li N O6 S2 |
|---|---|
| Calculated formula | C8 H16 F6 Li N O6 S2 |
| SMILES | [NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[Li](OS(=O)(=[O]1)C(F)(F)F)[O]=S(=O)(C(F)(F)F)O[Li]1(OS(=O)(=O)C(F)(F)F)[O]=S(=O)(C(F)(F)F)[O-] |
| Title of publication | Lithium triethylammonium bis(trifluoromethanesulfonate) |
| Authors of publication | Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | m625 - m626 |
| a | 10.14 ± 0.0013 Å |
| b | 8.6742 ± 0.0009 Å |
| c | 19.65 ± 0.002 Å |
| α | 90° |
| β | 100.834 ± 0.009° |
| γ | 90° |
| Cell volume | 1697.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.