Information card for entry 7057634

Structure parameters

• Formula: C39 H30 Cu N5 O3 S
• Calculated formula: C39 H30 Cu N5 O3 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: 9.203 ± 0.003 Å
• b: 12.352 ± 0.004 Å
• c: 15.197 ± 0.005 Å
• α: 70.384 ± 0.006°
• β: 83.857 ± 0.005°
• γ: 86.57 ± 0.005°
• Cell volume: 1617.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No