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Information card for entry 2242413
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| Coordinates | 2242413.cif |
|---|---|
| Structure factors | 2242413.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Bromo-1,3-dimethylimidazolium iodide chloroform 0.33-solvate |
|---|---|
| Formula | C5.33333 H8.33333 Br Cl I N2 |
| Calculated formula | C5.33333 H8.33333 Br Cl I N2 |
| SMILES | [I-].Brc1n(cc[n+]1C)C.ClC(Cl)Cl |
| Title of publication | Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides |
| Authors of publication | Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 497 - 501 |
| a | 13.9135 ± 0.0014 Å |
| b | 21.9492 ± 0.001 Å |
| c | 6.4529 ± 0.0006 Å |
| α | 90° |
| β | 128.314 ± 0.016° |
| γ | 90° |
| Cell volume | 1546.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections included in the refinement | 0.0349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218928 (current) | 2019-09-30 | cif/2 Fixing Z values and formulae |
2242413.cif 2242413.hkl |
| 206887 | 2018-03-10 | cif/ hkl/ Adding structures of 2242413, 2242414, 2242415 via cif-deposit CGI script. |
2242413.cif 2242413.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.