Information card for entry 1565250

Structure parameters

• Formula: C24 H26 Cu N4 O8
• Calculated formula: C24 H26 Cu N4 O8
• SMILES: C1(=O)C2=CN(c3c(C2=[O][Cu]2(O1)OC(=O)C1=CN(c4c(ccc(n4)C)C1=[O]2)CC)ccc(n3)C)CC.O.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: 8.291 ± 0.0003 Å
• b: 7.4556 ± 0.0003 Å
• c: 19.2127 ± 0.0006 Å
• α: 90°
• β: 99.809 ± 0.002°
• γ: 90°
• Cell volume: 1170.26 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No