Information card for entry 4331501

Structure parameters

• Formula: C30 H34 Cu N8 O10 S4
• Calculated formula: C30 H34 Cu N8 O10 S4
• SMILES: OC.[Cu](N1c2ccc(cc2SC1=NS(=O)(=O)c1ccc(C)cc1)N(=O)=O)(N1c2ccc(cc2SC1=NS(=O)(=O)c1ccc(C)cc1)N(=O)=O)([NH3])[NH3].OC
• 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: 8.041 ± 0.001 Å
• b: 8.176 ± 0.001 Å
• c: 14.451 ± 0.001 Å
• α: 90.904 ± 0.001°
• β: 105.877 ± 0.001°
• γ: 92.568 ± 0.001°
• Cell volume: 912.51 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No