Information card for entry 7056010

Structure parameters

• Formula: C40 H34 Cu2 N6 O6
• Calculated formula: C40 H34 Cu2 N6 O6
• SMILES: C1(=N[N]2=Cc3c([O]4[Cu]2([n]2ccccc2)(O1)[O]1[Cu]24([N](=Cc4c1cc(OC)cc4)N=C(c1ccccc1)O2)[n]1ccccc1)cc(OC)cc3)c1ccccc1
• Title of publication: Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay
• Authors of publication: Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 2425
• a: 13.5763 ± 0.0006 Å
• b: 10.6885 ± 0.0003 Å
• c: 13.9612 ± 0.0007 Å
• α: 90°
• β: 116.912 ± 0.006°
• γ: 90°
• Cell volume: 1806.51 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No