Information card for entry 7022964

Structure parameters

• Formula: C38 H28 Cl2 Cu N6 O4 S4
• Calculated formula: C38 H28 Cl2 Cu N6 O4 S4
• SMILES: [Cu]123([n]4ccccc4c4[n]1cccc4)([n]1c4c(sc1N2S(=O)(=O)c1ccc(cc1)C)cc(Cl)cc4)[n]1c2c(sc1N3S(=O)(=O)c1ccc(cc1)C)cc(Cl)cc2
• Title of publication: Mixed-ligand copper(II)-sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity.
• Authors of publication: González-Álvarez, Marta; Pascual-Álvarez, Alejandro; del Castillo Agudo, Lucas; Castiñeiras, Alfonso; Liu-González, Malva; Borrás, Joaquín; Alzuet-Piña, Gloria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10244 - 10259
• a: 10.086 ± 0.0013 Å
• b: 14.185 ± 0.0018 Å
• c: 14.815 ± 0.003 Å
• α: 95.579 ± 0.004°
• β: 98.024 ± 0.005°
• γ: 103.237 ± 0.01°
• Cell volume: 2024.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No