Information card for entry 1564465

Structure parameters

• Formula: C20 H18 Cu2 N4 O3
• Calculated formula: C20 H18 Cu2 N4 O3
• SMILES: [Cu]123Oc4c(C=[N]3CC3[O]1[Cu]1([N](=Cc5c(O1)cccc5)C3)[n]1n2ccc1)cccc4
• Title of publication: Pyrazolate as bridging ligand in stabilization of self-assemble Cu(II) Schiff base complexes: Synthesis, structural investigations, DNA/protein (BSA) binding and growth inhibitory effects on the MCF7, CT-26, MDA-MB-231 cell lines
• Authors of publication: Zarei, Leila; Asadi, Zahra; Samolova, Erika; Dusek, Michal; Amirghofran, Zahra
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119674
• a: 12.5391 ± 0.0004 Å
• b: 13.7594 ± 0.0004 Å
• c: 11.078 ± 0.0003 Å
• α: 90°
• β: 105.774 ± 0.003°
• γ: 90°
• Cell volume: 1839.32 ± 0.1 ų
• Cell temperature: 120.03 ± 0.1 K
• Ambient diffraction temperature: 120.03 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: 0.0337
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No