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Information card for entry 4331964
Preview
| Coordinates | 4331964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H22 Co N2 O13 S |
|---|---|
| Calculated formula | C10 H22 Co N2 O13 S |
| SMILES | c1cc(ccn1=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])c1ccn(cc1)=O.O.O.O=S(=O)([O-])[O-] |
| Title of publication | Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions |
| Authors of publication | González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 8 |
| Pages of publication | 3287 - 3294 |
| a | 7.137 ± 0.001 Å |
| b | 25.432 ± 0.002 Å |
| c | 10.226 ± 0.001 Å |
| α | 90° |
| β | 92.59 ± 0.01° |
| γ | 90° |
| Cell volume | 1854.2 ± 0.3 Å3 |
| Cell temperature | 253 ± 2 K |
| Ambient diffraction temperature | 253 ± 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 | 0.0425 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331964.cif |
| 179422 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19. |
4331964.cif |
| 98001 | 2014-01-29 | cif/ Adding structures of 4331961, 4331962, 4331963, 4331964, 4331965 via cif-deposit CGI script. |
4331964.cif |
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Users of the data should acknowledge the original authors of the
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