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Information card for entry 7707719
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| Coordinates | 7707719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diaqua[N'-(2-hydroxy-3-methoxyphenyl)methylidene-4-methoxybenzohydrazidato] copper(II) nitrate |
|---|---|
| Formula | C16 H19 Cu N3 O9 |
| Calculated formula | C16 H19 Cu N3 O9 |
| SMILES | c12c(c(ccc1)OC)O[Cu]1([O]=C(N[N]1=C2)c1ccc(cc1)OC)([OH2])[OH2].N(=O)(=O)[O-] |
| Title of publication | Anticancer activity of a new copper(II) complex with a hydrazone ligand. Structural and spectroscopic characterization, computational simulations and cell mechanistic studies on 2D and 3D breast cancer cell models. |
| Authors of publication | Balsa, Lucia M.; Ferraresi-Curotto, Verónica; Lavecchia, Martin J.; Echeverría, Gustavo A; Piro, Oscar E.; García-Tojal, Javier; Pis-Diez, Reinaldo; González-Baró, Ana C; León, Ignacio E |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 28 |
| Pages of publication | 9812 - 9826 |
| a | 7.0729 ± 0.0003 Å |
| b | 11.3899 ± 0.0007 Å |
| c | 12.9557 ± 0.0008 Å |
| α | 72.75 ± 0.005° |
| β | 75.757 ± 0.005° |
| γ | 74.628 ± 0.005° |
| Cell volume | 945.08 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268714 (current) | 2021-09-06 | cif/ Updating files of 7707719 Original log message: Adding full bibliography for 7707719.cif. |
7707719.cif |
| 266668 | 2021-06-25 | cif/ Adding structures of 7707719 via cif-deposit CGI script. |
7707719.cif |
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