Information card for entry 7236013

Structure parameters

• Formula: C38 H32 Cu2 N4 O10 S2
• Calculated formula: C38 H32 Cu2 N4 O10 S2
• Title of publication: Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures
• Authors of publication: Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 109
• Pages of publication: 90079
• a: 8.149 ± 0.002 Å
• b: 16.476 ± 0.005 Å
• c: 13.478 ± 0.004 Å
• α: 90°
• β: 94.476 ± 0.01°
• γ: 90°
• Cell volume: 1804.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No