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Information card for entry 2108986
Preview
| Coordinates | 2108986.cif |
|---|---|
| Structure factors | 2108986.hkl |
| Original paper (by DOI) | HTML |
| Formula | C22 H24 Cu N2 O8 |
|---|---|
| Calculated formula | C22 H24 Cu N2 O8 |
| SMILES | [NH]1([C@H](C(=O)O[Cu]21[NH]([C@@H](C(=O)O2)C)Cc1ccc2OCOc2c1)C)Cc1ccc2OCOc2c1 |
| Title of publication | Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes |
| Authors of publication | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 Part 2 |
| a | 11.279 ± 0.003 Å |
| b | 5.5252 ± 0.0009 Å |
| c | 17.45 ± 0.003 Å |
| α | 90° |
| β | 96.84 ± 0.02° |
| γ | 90° |
| Cell volume | 1079.7 ± 0.4 Å3 |
| Cell temperature | 298.5 K |
| Ambient diffraction temperature | 298.5 K |
| Number of distinct elements | 5 |
| 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 | 0.1085 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275739 (current) | 2022-06-02 | cif/ hkl/ Adding structures of 2108984, 2108985, 2108986, 2108987, 2108988 via cif-deposit CGI script. |
2108986.cif 2108986.hkl |
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Users of the data should acknowledge the original authors of the
structural data.