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Information card for entry 4001754
Preview
| Coordinates | 4001754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H36 Co N4 O14 S2 |
|---|---|
| Calculated formula | C22 H36 Co N4 O14 S2 |
| SMILES | [OH2][Co]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])[OH2].[O-]S(=O)(=O)CCS(=O)(=O)[O-].O.O.O.O |
| Title of publication | A Cationic Metal–Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping |
| Authors of publication | Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2013 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 647 |
| a | 11.751 ± 0.002 Å |
| b | 6.8398 ± 0.0012 Å |
| c | 18.669 ± 0.003 Å |
| α | 90° |
| β | 95.385 ± 0.002° |
| γ | 90° |
| Cell volume | 1493.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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