Information card for entry 7054675

Structure parameters

• Formula: C14 H11 Cu N5 O4 S
• Calculated formula: C14 H11 Cu N5 O4 S
• 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: 8.5179 ± 0.0006 Å
• b: 15.1779 ± 0.0007 Å
• c: 12.2602 ± 0.001 Å
• α: 90°
• β: 92.219 ± 0.003°
• γ: 90°
• Cell volume: 1583.86 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No