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Information card for entry 2011398
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| Coordinates | 2011398.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Chloramine-B |
|---|---|
| Formula | C6 H8 Cl N Na O3.5 S |
| Calculated formula | C6 H8 Cl N Na O3.5 S |
| SMILES | [Na+].ClN=S([O-])(=O)c1ccccc1.O.O |
| Title of publication | Chloramine-B sesquihydrate |
| Authors of publication | George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1208 - 1209 |
| a | 10.45 ± 0.003 Å |
| b | 6.623 ± 0.003 Å |
| c | 14.828 ± 0.004 Å |
| α | 90° |
| β | 103.31 ± 0.03° |
| γ | 90° |
| Cell volume | 998.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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