Information card for entry 4311786

Structure parameters

• Formula: C40 H36 Cu2 N8 O8 S8
• Calculated formula: C40 H36 Cu2 N8 O8 S8
• SMILES: c1[n]2c(N(S(=O)(=O)c3ccc(cc3)C)[Cu]345[Cu]2(N(c2[n]3ccs2)S(=O)(=O)c2ccc(cc2)C)(N(c2[n]4ccs2)S(=O)(=O)c2ccc(cc2)C)[n]2ccsc2N5S(=O)(=O)c2ccc(cc2)C)sc1
• 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: 27.174 ± 0.003 Å
• b: 10.1931 ± 0.001 Å
• c: 20.025 ± 0.002 Å
• α: 90°
• β: 122.025 ± 0.002°
• γ: 90°
• Cell volume: 4702.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No