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Information card for entry 7060021
Preview
| Coordinates | 7060021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H19 Cu N5 O |
|---|---|
| Calculated formula | C14 H19 Cu N5 O |
| SMILES | [Cu]12(Oc3c(C=[N]1CC[N]12CCCCC1)cccc3)N=N#N |
| Title of publication | Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity |
| Authors of publication | Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 42 |
| Pages of publication | 18347 - 18361 |
| a | 11.1959 ± 0.0003 Å |
| b | 11.1959 ± 0.0003 Å |
| c | 48.749 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6110.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.1007 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060021.cif |
| 258904 | 2020-11-06 | cif/ Updating files of 7060020, 7060021 Original log message: Adding full bibliography for 7060020--7060021.cif. |
7060021.cif |
| 256913 | 2020-10-02 | cif/ Adding structures of 7060020, 7060021 via cif-deposit CGI script. |
7060021.cif |
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Users of the data should acknowledge the original authors of the
structural data.