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Information card for entry 2242415
Preview
| Coordinates | 2242415.cif |
|---|---|
| Structure factors | 2242415.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Bromo-1,3-dimethylimidazolium iodide hemi(diiodide) |
|---|---|
| Formula | C10 H16 Br2 I4 N4 |
| Calculated formula | C10 H16 Br2 I4 N4 |
| SMILES | Brc1n(cc[n+]1C)C.[I-].II.Brc1n(cc[n+]1C)C.[I-] |
| 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 | 6.0861 ± 0.0004 Å |
| b | 14.4773 ± 0.0011 Å |
| c | 12.0303 ± 0.0007 Å |
| α | 90° |
| β | 97.812 ± 0.005° |
| γ | 90° |
| Cell volume | 1050.16 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.343 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2242415.cif 2242415.hkl |
| 206887 | 2018-03-10 | cif/ hkl/ Adding structures of 2242413, 2242414, 2242415 via cif-deposit CGI script. |
2242415.cif 2242415.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.