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Information card for entry 7224632
Preview
| Coordinates | 7224632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pCF3DTDA |
|---|---|
| Chemical name | 4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl |
| Formula | C8 H4 F3 N2 S2 |
| Calculated formula | C8 H4 F3 N2 S2 |
| Title of publication | Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound |
| Authors of publication | Boeré, René T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 15 |
| Pages of publication | 2748 |
| a | 9.4916 ± 0.0009 Å |
| b | 18.1887 ± 0.0017 Å |
| c | 22.275 ± 0.002 Å |
| α | 91.579 ± 0.001° |
| β | 97.329 ± 0.001° |
| γ | 102.755 ± 0.001° |
| Cell volume | 3713.8 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1396 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182644 (current) | 2016-05-06 | cif/ Updating files of 7224632, 7224633 Original log message: Adding full bibliography for 7224632--7224633.cif. |
7224632.cif |
| 178293 | 2016-03-18 | cif/ Adding structures of 7224632, 7224633 via cif-deposit CGI script. |
7224632.cif |
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Users of the data should acknowledge the original authors of the
structural data.