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Information card for entry 2019236
Preview
| Coordinates | 2019236.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | μ-1,2-Bis(pyridin-3-yloxy)ethane-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] tetrahydrate |
|---|---|
| Formula | C26 H30 Cu2 N4 O16 |
| Calculated formula | C26 H30 Cu2 N4 O16 |
| Title of publication | A well-resolved cyclic water tetramer in a dinuclear Cu^II^ coordination complex based on 1,2-bis(pyridin-3-yloxy)ethane and capped by pyridine-2,6-dicarboxylic acid |
| Authors of publication | Ge, Jing-Yuan; Wang, Peng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | 1362 - 1366 |
| a | 8.1142 ± 0.0019 Å |
| b | 11.94 ± 0.003 Å |
| c | 16.16 ± 0.004 Å |
| α | 77.797 ± 0.004° |
| β | 84.782 ± 0.004° |
| γ | 88.231 ± 0.004° |
| Cell volume | 1523.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019236.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019236.cif |
| 91129 | 2013-12-09 | cif/ Adding structures of 2019236 via cif-deposit CGI script. |
2019236.cif |
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Users of the data should acknowledge the original authors of the
structural data.