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Information card for entry 2108987
Preview
| Coordinates | 2108987.cif |
|---|---|
| Structure factors | 2108987.hkl |
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Cu N2 O9 |
|---|---|
| Calculated formula | C34 H34 Cu N2 O9 |
| SMILES | [Cu]12([OH2])(OC(=O)[C@@H]([NH]2Cc2cc3OCOc3cc2)Cc2ccccc2)OC(=O)[C@@H]([NH]1Cc1ccc2OCOc2c1)Cc1ccccc1 |
| 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 | 7.245 ± 0.0017 Å |
| b | 7.251 ± 0.0012 Å |
| c | 16.014 ± 0.003 Å |
| α | 91.685 ± 0.011° |
| β | 97.664 ± 0.007° |
| γ | 112.798 ± 0.008° |
| Cell volume | 765.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.79986 Å |
| Diffraction radiation type | synchrotron |
| 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. |
2108987.cif 2108987.hkl |
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Users of the data should acknowledge the original authors of the
structural data.