Information card for entry 4311785

Structure parameters

• Formula: C13 H10 N2 O2 S2
• Calculated formula: C13 H10 N2 O2 S2
• SMILES: S1C=CNC1=NS(=O)(=O)c1cc2ccccc2cc1
• Title of publication: Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes
• Authors of publication: R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6805 - 6814
• a: 12.8179 ± 0.0015 Å
• b: 9.1246 ± 0.0011 Å
• c: 11.0332 ± 0.0008 Å
• α: 90°
• β: 90.993 ± 0.007°
• γ: 90°
• Cell volume: 1290.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No