Information card for entry 7060021

Structure parameters

• Formula: C14 H19 Cu N5 O
• Calculated formula: C14 H19 Cu N5 O
• SMILES: [Cu]12(Oc3c(C=[N]1CC[N]12CCCCC1)cccc3)N=N#N
• Title of publication: Developing novel zinc(ii) and copper(ii) Schiff base complexes: combined experimental and theoretical investigation on their DNA/protein binding efficacy and anticancer activity
• Authors of publication: Das, Manik; Mukherjee, Somali; Koley, Biplab; Choudhuri, Indranil; Bhattacharyya, Nandan; Roy, Pritam; Samanta, Bidhan Chandra; Barai, Manas; Maity, Tithi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18347 - 18361
• a: 11.1959 ± 0.0003 Å
• b: 11.1959 ± 0.0003 Å
• c: 48.749 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6110.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No