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Information card for entry 7061366
Preview
| Coordinates | 7061366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H8 I5 N2 S |
|---|---|
| Calculated formula | C5 H8 I5 N2 S |
| Title of publication | A new assembly of diiodine molecules at the 1,3-dimethylimidazole-2-thione (Me2ImS) template: crystal structure of (Me2ImS)2·(I2)5 |
| Authors of publication | Garau, Alessandra; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pivetta, Tiziana |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 6870 - 6877 |
| a | 7.601 ± 0.002 Å |
| b | 9.536 ± 0.002 Å |
| c | 11.912 ± 0.002 Å |
| α | 101.98 ± 0.02° |
| β | 104.86 ± 0.02° |
| γ | 97.03 ± 0.02° |
| Cell volume | 802.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275031 (current) | 2022-05-05 | cif/ Updating files of 7061366 Original log message: Adding full bibliography for 7061366.cif. |
7061366.cif |
| 273517 | 2022-03-08 | cif/ Adding structures of 7061366 via cif-deposit CGI script. |
7061366.cif |
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Users of the data should acknowledge the original authors of the
structural data.