Information card for entry 4331499

Structure parameters

• Formula: C28 H20 Cl2 Cu N6 O4 S4
• Calculated formula: C28 H20 Cl2 Cu N6 O4 S4
• SMILES: [Cu]1(OS(=O)(=Nc2sc3cc(Cl)ccc3[n]12)c1ccc(cc1)C)([n]1c(sc2cc(Cl)ccc12)N=S([O-])(=O)c1ccc(cc1)C)([NH3])[NH3]
• 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: 12.704 ± 0.001 Å
• b: 12.275 ± 0.001 Å
• c: 10.57 ± 0.001 Å
• α: 90°
• β: 105.879 ± 0.003°
• γ: 90°
• Cell volume: 1585.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No