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Information card for entry 2233197
Preview
| Coordinates | 2233197.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato- κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) |
|---|---|
| Formula | C12 H10 Cu N4 O12 |
| Calculated formula | C12 H10 Cu N4 O12 |
| Title of publication | Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) |
| Authors of publication | Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m46 |
| a | 6.5327 ± 0.0007 Å |
| b | 9.7963 ± 0.001 Å |
| c | 12.2562 ± 0.0012 Å |
| α | 90° |
| β | 102.86 ± 0.02° |
| γ | 90° |
| Cell volume | 764.68 ± 0.15 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233197.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233197.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233197.cif |
| 32256 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233197 via cif-deposit CGI script. |
2233197.cif |
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Users of the data should acknowledge the original authors of the
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