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Information card for entry 2237260
Preview
| Coordinates | 2237260.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate |
|---|---|
| Formula | C13 H23 Cu N3 O9 S |
| Calculated formula | C13 H23 Cu N3 O9 S |
| SMILES | [Cu]12([N](=Cc3[n]1cccc3)CCc1[n]2cccc1)(OS(=O)(=O)[O-])[OH2].O.O.O.O |
| Title of publication | Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate |
| Authors of publication | Tinguiano, Daniel; Sow, Mouhamadou Moustapha; Tamboura, Farba Bouyagui; Barry, Aliou Hamady; Gaye, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m24 - m25 |
| a | 10.7315 ± 0.0017 Å |
| b | 23.605 ± 0.004 Å |
| c | 7.6478 ± 0.0012 Å |
| α | 90° |
| β | 96.523 ± 0.003° |
| γ | 90° |
| Cell volume | 1924.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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. |
2237260.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. |
2237260.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237260.cif |
| 73492 | 2013-02-20 | cif/ Adding structures of 2237260 via cif-deposit CGI script. |
2237260.cif |
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Users of the data should acknowledge the original authors of the
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