Information card for entry 7056008

Structure parameters

• Formula: C64 H46 Cu4 N8 O18
• Calculated formula: C64 H46 Cu4 N8 O18
• SMILES: C1(=N[N]2=Cc3c4[O]5[Cu]62(O1)[O]1c2c(cccc2[O]6C)C=[N]2[Cu]61(OC(=N2)c1ccccc1)[O]1c2c(C=[N]7[Cu]81(OC(=N7)c1ccccc1)[O]1c7c(C=[N]9[Cu]51([O](c4ccc3)C)OC(=N9)c1ccccc1)cccc7[O]8C)cccc2[O]6C)c1ccccc1.O.OC.OC.O.CO.CO
• 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: 25.256 ± 0.002 Å
• b: 11.149 ± 0.0005 Å
• c: 25.821 ± 0.002 Å
• α: 90°
• β: 120.069 ± 0.011°
• γ: 90°
• Cell volume: 6292.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No