Information card for entry 7707719

Structure parameters

• 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 ų
• 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