Information card for entry 7060510

Structure parameters

• Formula: C25 H19 Cl Cu N4 O5
• Calculated formula: C25 H19 Cl Cu N4 O5
• SMILES: [Cu]123([n]4c(ccc5cccc(O3)c45)C)[n]3c(cccc3c3[n]2cccc3)c2[n]1cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage, cytotoxicity and induction of apoptosis
• Authors of publication: Sangeetha, Somasundaram; Ajaykamal, Tamilarasan; Murali, Mariappan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7578 - 7593
• a: 7.3527 ± 0.0008 Å
• b: 12.8535 ± 0.0014 Å
• c: 13.2223 ± 0.0015 Å
• α: 75.187 ± 0.002°
• β: 79.635 ± 0.002°
• γ: 86.841 ± 0.002°
• Cell volume: 1188.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No