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Information card for entry 2242293
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| Coordinates | 2242293.cif |
|---|---|
| Structure factors | 2242293.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tri-μ-aqua-(μ-2-carboxylatopyrrolidine-1-carbodithioato)dipotassium] |
|---|---|
| Formula | C6 H13 K2 N O5 S2 |
| Calculated formula | C6 H13 K2 N O5 S2 |
| SMILES | C(=O)([C@@H]1CCCN1C(=S)[S-])[O-].[K+].[K+].O.O.O |
| Title of publication | Crystal structure of dipotassium <i>N</i>-carbodithioato-<small>L</small>-prolinate trihydrate |
| Authors of publication | Liebing, Phil |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 9 |
| Pages of publication | 1375 - 1378 |
| a | 7.17 ± 0.0003 Å |
| b | 8.9723 ± 0.0004 Å |
| c | 19.8379 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1276.2 ± 0.09 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections included in the refinement | 0.0418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199967 (current) | 2017-08-26 | cif/ hkl/ Adding structures of 2242293 via cif-deposit CGI script. |
2242293.cif 2242293.hkl |
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Users of the data should acknowledge the original authors of the
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