Information card for entry 4311787

Structure parameters

• Formula: C52 H36 Cu2 N8 O8 S8
• Calculated formula: C52 H36 Cu2 N8 O8 S8
• SMILES: [Cu]1234[Cu]([n]5ccsc5N1S(=O)(=O)c1cc5ccccc5cc1)(N(S(=O)(=O)c1cc5ccccc5cc1)c1scc[n]21)([n]1ccsc1N3S(=O)(=O)c1cc2ccccc2cc1)N(S(=O)(=O)c1cc2ccccc2cc1)c1scc[n]41
• 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: 12.8308 ± 0.0008 Å
• b: 14.964 ± 0.002 Å
• c: 15.048 ± 0.003 Å
• α: 66.679 ± 0.015°
• β: 82.525 ± 0.011°
• γ: 83.314 ± 0.009°
• Cell volume: 2623.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No