Information card for entry 7056739

Structure parameters

• Formula: C31 H32 Cu N6 O6
• Calculated formula: C31 H28 Cu N6 O6
• Title of publication: Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands
• Authors of publication: Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 246
• a: 11.0747 ± 0.0003 Å
• b: 10.6797 ± 0.0003 Å
• c: 25.2355 ± 0.0007 Å
• α: 90°
• β: 91.65 ± 0.002°
• γ: 90°
• Cell volume: 2983.48 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1278
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No