Information card for entry 7054673

Structure parameters

• Formula: C24 H18 Cu2 N10 O6 S2
• Calculated formula: C24 H18 Cu2 N10 O6 S2
• SMILES: c12c(cccc1)S(=O)(=O)O[Cu]13([N]2=Cc2[n]1cccc2)[N](=N#N)[Cu]12([N](c4c(cccc4)S(=O)(=O)O2)=Cc2[n]1cccc2)[N]3=N#N
• Title of publication: Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction
• Authors of publication: Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3424
• a: 13.3215 ± 0.001 Å
• b: 12.3215 ± 0.0009 Å
• c: 16.7717 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No