Information card for entry 7236010

Structure parameters

• Formula: C14 H19 N O8 S
• Calculated formula: C14 H19 N O8 S
• 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: 6.9329 ± 0.001 Å
• b: 12.2785 ± 0.0018 Å
• c: 19.091 ± 0.003 Å
• α: 90°
• β: 98.079 ± 0.005°
• γ: 90°
• Cell volume: 1609 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1272
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No