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Information card for entry 2202258
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| Coordinates | 2202258.cif |
|---|---|
| Structure factors | 2202258.hkl |
| Original IUCr paper | HTML |
| Chemical name | Piperazinium hexaaquacobalt disulfate |
|---|---|
| Formula | C4 H24 Co N2 O14 S2 |
| Calculated formula | C4 H24 Co N2 O14 S2 |
| SMILES | C1[NH2+]CC[NH2+]C1.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-] |
| Title of publication | Piperazinium hexaaquacobalt(II) disulfate |
| Authors of publication | Jian-Xin Pan; Guo-Yu Yang; Yan-Qiong Sun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 5 |
| Pages of publication | m286 - m288 |
| a | 12.8796 ± 0.0006 Å |
| b | 10.6984 ± 0.0006 Å |
| c | 13.3098 ± 0.0007 Å |
| α | 90° |
| β | 114.118 ± 0.002° |
| γ | 90° |
| Cell volume | 1673.88 ± 0.15 Å3 |
| Cell temperature | 293 ± 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 all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.