Information card for entry 7064295

Structure parameters

• Formula: C36 H32 Cu2 N2 O13
• Calculated formula: C36 H32 Cu2 N2 O13
• Title of publication: Evaluation of anticancer potential of a binuclear copper(ii) complex with a 3-(pyridin-3-yl) coumarin ligand: synthesis, crystal structure, magnetism, DNA interaction and molecular dynamics simulations
• Authors of publication: Sang, Wuhan; Liu, Miaomiao; Xu, Li; Yang, Shilong; Wang, Yanqin; Zhang, Caihua; Lu, Wen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 3482 - 3494
• a: 8.26 ± 0.0017 Å
• b: 31.508 ± 0.006 Å
• c: 13.655 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3553.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2282
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No