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Information card for entry 1559879
Preview
| Coordinates | 1559879.cif |
|---|---|
| Structure factors | 1559879.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione |
|---|---|
| Formula | C12 H18 Co N2 O10 |
| Calculated formula | C12 H18 Co N2 O10 |
| SMILES | c1(=O)ccc(c[nH]1)c1ccc(=O)[nH]c1.C(=O)O[Co]([OH2])([OH2])(OC=O)([OH2])[OH2] |
| Title of publication | Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione |
| Authors of publication | Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam |
| Journal of publication | Canadian Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 98 |
| Pages of publication | 347 - 351 |
| a | 25.6206 ± 0.0005 Å |
| b | 6.7854 ± 0.0001 Å |
| c | 9.7945 ± 0.0002 Å |
| α | 90° |
| β | 109.419 ± 0.001° |
| γ | 90° |
| Cell volume | 1605.87 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559879.cif 1559879.hkl |
| 260188 | 2020-12-29 | cif/ hkl/ Adding structures of 1559879 via cif-deposit CGI script. |
1559879.cif 1559879.hkl |
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Users of the data should acknowledge the original authors of the
structural data.