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Information card for entry 7208185
Preview
| Coordinates | 7208185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H32 Br2 N4 |
|---|---|
| Calculated formula | C18 H32 Br2 N4 |
| Title of publication | Supramolecular architectures of symmetrical dicationic ionic liquid based systems |
| Authors of publication | Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 15 |
| Pages of publication | 4886 |
| a | 7.3281 ± 0.0007 Å |
| b | 12.81 ± 0.0012 Å |
| c | 11.3249 ± 0.001 Å |
| α | 90° |
| β | 95.503 ± 0.002° |
| γ | 90° |
| Cell volume | 1058.2 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208185.cif |
| 180412 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81. |
7208185.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208185.cif |
| 64214 | 2012-08-11 | cif/ Adding structures of 7208184, 7208185, 7208186, 7208187 via cif-deposit CGI script. |
7208185.cif |
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Users of the data should acknowledge the original authors of the
structural data.