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Information card for entry 4516336
Preview
| Coordinates | 4516336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-ethyl-2,3-dimethylimidazolium chloride |
|---|---|
| Formula | C7 H13 Cl N2 |
| Calculated formula | C7 H13 Cl N2 |
| SMILES | [Cl-].n1(c([n+](C)cc1)C)CC |
| Title of publication | On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts |
| Authors of publication | de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5207 |
| a | 7.99132 ± 0.00006 Å |
| b | 16.45676 ± 0.00013 Å |
| c | 6.68451 ± 0.00006 Å |
| α | 90° |
| β | 104.042 ± 0.0005° |
| γ | 90° |
| Cell volume | 852.821 ± 0.012 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor R(I) for significantly intense reflections | 0.057 |
| Goodness-of-fit parameter for all reflections | 8.499 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.82621 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231262 (current) | 2019-11-22 | cif/ Adding structures of 4516336 via cif-deposit CGI script. |
4516336.cif |
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