Information card for entry 4331500

Structure parameters

• Formula: C26 H22 Cl2 Cu N6 O4 S4
• Calculated formula: C26 H22 Cl2 Cu N6 O4 S4
• SMILES: [Cu]([NH3])([NH3])(n1c(sc2c1ccc(Cl)c2)=NS(=O)(=O)c1ccccc1)n1c(sc2c1ccc(Cl)c2)=NS(=O)(=O)c1ccccc1
• Title of publication: Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides.
• Authors of publication: González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9424 - 9433
• a: 12.533 ± 0.001 Å
• b: 12.203 ± 0.001 Å
• c: 10.466 ± 0.001 Å
• α: 90 ± 0.01°
• β: 111.616 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1488.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No