Information card for entry 7219891

Structure parameters

• Formula: C20 H18 Cu N3 O5 S
• Calculated formula: C20 H18 Cu N3 O5 S
• Title of publication: 1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests
• Authors of publication: Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.3925 ± 0.0015 Å
• b: 11.7576 ± 0.0012 Å
• c: 14.4447 ± 0.0015 Å
• α: 90°
• β: 116.399 ± 0.004°
• γ: 90°
• Cell volume: 2037.3 ± 0.4 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: 0.0661
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No