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Information card for entry 7045837
Preview
| Coordinates | 7045837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 Br N Se |
|---|---|
| Calculated formula | C12 H12 Br N Se |
| Title of publication | Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles. |
| Authors of publication | Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 14 |
| Pages of publication | 5083 - 5097 |
| a | 7.8322 ± 0.0004 Å |
| b | 13.3857 ± 0.0007 Å |
| c | 11.624 ± 0.0006 Å |
| α | 90° |
| β | 96.186 ± 0.002° |
| γ | 90° |
| Cell volume | 1211.56 ± 0.11 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0245 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045837.cif |
| 229768 | 2019-11-17 | cif/ Updating files of 7045837, 7045838, 7045839 Original log message: Adding full bibliography for 7045837--7045839.cif. |
7045837.cif |
| 206918 | 2018-03-13 | cif/ Adding structures of 7045837, 7045838, 7045839 via cif-deposit CGI script. |
7045837.cif |
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Users of the data should acknowledge the original authors of the
structural data.