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Information card for entry 7224176
Preview
| Coordinates | 7224176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H34 N14 S4 |
|---|---|
| Calculated formula | C19 H34 N14 S4 |
| 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 | 7.7966 ± 0.0005 Å |
| b | 9.0094 ± 0.0005 Å |
| c | 10.8792 ± 0.0007 Å |
| α | 89.053 ± 0.005° |
| β | 85.454 ± 0.005° |
| γ | 83.906 ± 0.005° |
| Cell volume | 757.45 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7224176.cif |
| 176306 | 2016-02-10 | cif/ Adding structures of 7224174, 7224175, 7224176 via cif-deposit CGI script. |
7224176.cif |
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Users of the data should acknowledge the original authors of the
structural data.