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Information card for entry 8101546
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| Coordinates | 8101546.cif |
|---|
| Common name | thallium sulfanilate hemihydrate |
|---|---|
| Formula | C6 H7 N O3.5 S Tl |
| Calculated formula | C6 H7 N O3.5 S Tl |
| SMILES | [O-]S(=O)(=O)c1ccc(cc1)N.[Tl+].O |
| Title of publication | Crystal structure of thallium sulfanilate semihydrate, TlH~2~NC~6~H4SO~3~ · 0.5 H~2~O |
| Authors of publication | Schreuer, Jürgen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 3 |
| Pages of publication | 313 - 314 |
| a | 9.866 ± 0.002 Å |
| b | 19.799 ± 0.004 Å |
| c | 10.079 ± 0.002 Å |
| α | 90° |
| β | 114.98 ± 0.03° |
| γ | 90° |
| Cell volume | 1784.6 ± 0.6 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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