Information card for entry 7036886

Structure parameters

• Formula: C25 H18 Cu N4 O4
• Calculated formula: C25 H18 Cu N4 O4
• SMILES: c12ccccc1n(c1c3ccccc3[N]3=Cc4c5ccccc5ccc4O[Cu]43([n]21)[O]=N(=O)O4)C
• 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: 14.9763 ± 0.0005 Å
• b: 10.5573 ± 0.0003 Å
• c: 27.4132 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4334.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No