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Information card for entry 7118022
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| Coordinates | 7118022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [EMIm][HS], 1 |
|---|---|
| Chemical name | 1-Ethyl-2-methylimidazolium-hydrosulfide |
| Formula | C6 H12 N2 S |
| Calculated formula | C6 H12 N2 S |
| SMILES | c1n(cc[n+]1C)CC.[SH-] |
| Title of publication | Access to pure and highly volatile hydrochalcogenide ionic liquids |
| Authors of publication | L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 16169 |
| a | 8.6023 ± 0.0003 Å |
| b | 7.671 ± 0.0002 Å |
| c | 12.76 ± 0.0004 Å |
| α | 90° |
| β | 107.862 ± 0.001° |
| γ | 90° |
| Cell volume | 801.42 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118022.cif |
| 169963 | 2015-11-03 | cif/ Adding structures of 7118022, 7118023 via cif-deposit CGI script. |
7118022.cif |
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Users of the data should acknowledge the original authors of the
structural data.