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Information card for entry 7059036
Preview
| Coordinates | 7059036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 6,6'-((1E,1'E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(3-(diethylamino)phenol) |
|---|---|
| Formula | C24 H34 N4 O2 |
| Calculated formula | C24 H34 N4 O2 |
| Title of publication | Diethylaminophenyl-based Schiff base Cu(II) and V(IV) complexes: experimental and theoretical study and cytotoxicity assays |
| Authors of publication | Rocha, Mariana; Ruiz, María Carolina; Echeverría, Gustavo A.; Piro, Oscar E.; Leon, Ignacio; Di Virgilio, Ana Laura; Frontera, Antonio; Gil, Diego Mauricio |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 47 |
| Pages of publication | 18832 - 18842 |
| a | 6.0163 ± 0.0005 Å |
| b | 7.4951 ± 0.0005 Å |
| c | 13.488 ± 0.0012 Å |
| α | 105.57 ± 0.006° |
| β | 100.446 ± 0.007° |
| γ | 93.766 ± 0.006° |
| Cell volume | 571.97 ± 0.08 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0994 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059036.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7059036.cif |
| 227688 | 2019-11-13 | cif/ Adding structures of 7059036, 7059037 via cif-deposit CGI script. |
7059036.cif |
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Users of the data should acknowledge the original authors of the
structural data.