Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242258
Preview
| Coordinates | 2242258.cif |
|---|---|
| Structure factors | 2242258.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate |
|---|---|
| Formula | C20 H18 Co N6 O8 S |
| Calculated formula | C20 H18 Co N6 O8 S |
| SMILES | S1c2[n]3[Co]4([OH2])([OH2])([n]5c(cccc5)c5[n]4c1ccc5)[n]1c(cccc1)c3ccc2.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | A compressed octahedral cobalt(II) complex in the crystal structure of diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate |
| Authors of publication | Li, Guo-Ling; Sato, Osamu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 993 - 995 |
| a | 13.412 ± 0.003 Å |
| b | 11.421 ± 0.002 Å |
| c | 15.441 ± 0.003 Å |
| α | 90° |
| β | 110.5 ± 0.03° |
| γ | 90° |
| Cell volume | 2215.4 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242258.cif 2242258.hkl |
| 199216 | 2017-07-25 | cif/ hkl/ Adding structures of 2242258 via cif-deposit CGI script. |
2242258.cif 2242258.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.