Information card for entry 1565249

Structure parameters

• Formula: C28 H38 Cu N8 O6
• Calculated formula: C28 H38 Cu N8 O6
• SMILES: C(O[Cu]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)OC(=O)C1=CN(CC)c2c(C1=O)ccc(n2)C)(C1C(=O)c2c(N(C=1)CC)nc(cc2)C)=O
• Title of publication: Bis- and mixed-ligand copper(II) complexes of nalidixic acid the antibacterial drug: Mode of nalidixate coordination determines DNA binding and cleavage and cytotoxicity
• Authors of publication: Sharma, Mitu; Ganeshpandian, Mani; Sanjeev, Airy; Tamilarasan, Ajaykamal; Mattaparthi, Venkata Satish Kumar; Islam, Nashreen S.; Palaniandavar, Mallayan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119450
• a: 5.3068 ± 0.0004 Å
• b: 8.9688 ± 0.0006 Å
• c: 15.6014 ± 0.001 Å
• α: 81.757 ± 0.005°
• β: 85.286 ± 0.005°
• γ: 87.395 ± 0.005°
• Cell volume: 731.97 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No