Information card for entry 7056009

Structure parameters

• Formula: C40 H32 Cu2 N6 O6
• Calculated formula: C40 H32 Cu2 N6 O6
• SMILES: C1(=N[N]2[Cu]([n]3ccc(cc3)c3cc[n](cc3)[Cu]34Oc5c(C=[N]3N=C(c3ccccc3)O4)cccc5OC)(O1)Oc1c(C=2)cccc1OC)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: 16.5056 ± 0.0003 Å
• b: 8.5024 ± 0.00019 Å
• c: 24.0812 ± 0.0005 Å
• α: 90°
• β: 93.366 ± 0.0016°
• γ: 90°
• Cell volume: 3373.66 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No