Information card for entry 4311788

Structure parameters

• Formula: C10 H10 N2 O2 S2
• Calculated formula: C10 H10 N2 O2 S2
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N=C1SC=CN1
• 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: 13.2132 ± 0.00007 Å
• b: 6.5384 ± 0.0003 Å
• c: 13.6825 ± 0.00005 Å
• α: 90°
• β: 110.135 ± 0.002°
• γ: 90°
• Cell volume: 1109.83 ± 0.05 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No