Information card for entry 7057632

Structure parameters

• Formula: C27 H24 Cu N3 O4 S
• Calculated formula: C27 H24 Cu N3 O4 S
• Title of publication: Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation
• Authors of publication: Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 15170
• a: 9.1259 ± 0.0018 Å
• b: 10.853 ± 0.002 Å
• c: 13.207 ± 0.002 Å
• α: 101.339 ± 0.011°
• β: 100.351 ± 0.01°
• γ: 110.211 ± 0.01°
• Cell volume: 1159.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No