Information card for entry 7022966

Structure parameters

• Formula: C42 H39 Cu N6 O4.5 S4
• Calculated formula: C42 H39 Cu N6 O4.5 S4
• SMILES: [Cu]1234([O]=S(=O)(N3=C3Sc5cc(c(cc5N23)C)C)c2ccc(cc2)C)([n]2ccccc2c2[n]1cccc2)(N1c2c(SC1=[N]4S(=O)(=O)c1ccc(cc1)C)cc(c(c2)C)C).[Cu]123([n]4c(c5[n]1cccc5)cccc4)(N1c4c(SC1=[N]2S(=O)(=O)c1ccc(cc1)C)cc(c(c4)C)C)N1c2c(SC1=[N]3S(=O)(=O)c1ccc(cc1)C)cc(c(c2)C)C.O
• 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: 23.171 ± 0.0004 Å
• b: 11.941 ± 0.0003 Å
• c: 32.011 ± 0.0007 Å
• α: 90°
• β: 106.527 ± 0.001°
• γ: 90°
• Cell volume: 8491 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.138
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No