Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239245
Preview
| Coordinates | 7239245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4,5-dibromo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide |
|---|---|
| Formula | C8 H9 Br2 F6 N3 O4 S2 |
| Calculated formula | C8 H9 Br2 F6 N3 O4 S2 |
| Title of publication | 4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity |
| Authors of publication | Mukai, Tomohiro; Nishikawa, Keiko |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 19952 |
| a | 9.6737 ± 0.0005 Å |
| b | 13.8295 ± 0.0008 Å |
| c | 13.7694 ± 0.0008 Å |
| α | 90° |
| β | 106.979 ± 0.001° |
| γ | 90° |
| Cell volume | 1761.81 ± 0.17 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239245.cif |
| 244616 | 2019-11-28 | cif/ Adding structures of 7239244, 7239245 via cif-deposit CGI script. |
7239245.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.