Information card for entry 7036887

Structure parameters

• Formula: C27 H22 Cu N4 O4
• Calculated formula: C27 H22 Cu N4 O4
• SMILES: c12ccc3ccccc3c1C=[N]1c3ccccc3c3[n](c4c(cccc4)n3CCC)[Cu]1(O2)ON(=O)=O
• Title of publication: Synthesis, DNA binding, cellular DNA lesion and cytotoxicity of a series of new benzimidazole-based Schiff base copper(ii) complexes.
• Authors of publication: Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Koch, Biplob; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19983 - 19996
• a: 9.9413 ± 0.0007 Å
• b: 15.3917 ± 0.001 Å
• c: 17.7468 ± 0.0011 Å
• α: 69.236 ± 0.003°
• β: 85.698 ± 0.005°
• γ: 72.483 ± 0.003°
• Cell volume: 2419.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1497
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.2796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No