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Information card for entry 7224175
Preview
| Coordinates | 7224175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H16 N4 O S |
|---|---|
| Calculated formula | C8 H16 N4 O S |
| Title of publication | Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine |
| Authors of publication | Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 1842 |
| a | 8.3895 ± 0.0003 Å |
| b | 9.1961 ± 0.0003 Å |
| c | 15.9849 ± 0.0006 Å |
| α | 103.892 ± 0.003° |
| β | 97.021 ± 0.003° |
| γ | 90.97 ± 0.003° |
| Cell volume | 1186.83 ± 0.07 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177742 (current) | 2016-03-05 | cif/ Updating files of 7224174, 7224175, 7224176 Original log message: Adding full bibliography for 7224174--7224176.cif. |
7224175.cif |
| 176306 | 2016-02-10 | cif/ Adding structures of 7224174, 7224175, 7224176 via cif-deposit CGI script. |
7224175.cif |
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Users of the data should acknowledge the original authors of the
structural data.