Information card for entry 1556628

Structure parameters

• Formula: C32 H36 Cu2 N4 O10 S2
• Calculated formula: C32 H36 Cu2 N4 O10 S2
• SMILES: c12ccccc2S(=O)(=O)O[Cu]2([N]1=Cc1ccccc1O2)([NH]1CC[NH](CC1)[Cu]12([N](c3c(cccc3)S(=O)(=O)O2)=Cc2ccccc2O1)[OH]C)[OH]C
• Title of publication: Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes
• Authors of publication: Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 17
• a: 6.9512 ± 0.0009 Å
• b: 18.534 ± 0.002 Å
• c: 13.4906 ± 0.0015 Å
• α: 90°
• β: 100.283 ± 0.003°
• γ: 90°
• Cell volume: 1710.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No