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Information card for entry 7239254
Preview
| Coordinates | 7239254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H4 Br2 N4 S4 |
|---|---|
| Calculated formula | C10 H4 Br2 N4 S4 |
| Title of publication | Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines |
| Authors of publication | Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 45 |
| Pages of publication | 23438 |
| a | 11.2343 ± 0.0001 Å |
| b | 6.0495 ± 0.0001 Å |
| c | 11.3801 ± 0.0001 Å |
| α | 90° |
| β | 106.943 ± 0.001° |
| γ | 90° |
| Cell volume | 739.843 ± 0.016 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244618 (current) | 2019-11-28 | cif/ Adding structures of 7239254, 7239255 via cif-deposit CGI script. |
7239254.cif |
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Users of the data should acknowledge the original authors of the
structural data.