Information card for entry 7716143

Structure parameters

• Formula: C34 H27 Cu N5 O4 S
• Calculated formula: C34 H27 Cu N5 O4 S
• Title of publication: Exploring the BSA-, DNA-binding, cytotoxicity and cell cycle evaluation of ternary copper(II)/diimine complexes with N,N-dibenzyl-N’-benzoylthiourea as promising metallodrug candidates
• Authors of publication: Gonçalves, Guilherme R.; Teixeira, Tamara; Bezerra, Daniel Pereira; Soares, Milena Botelho; Silva, Valdenizia R.; Santos, Luciano de Souza; Batista, Alzir A.; de Oliveira, Katia Mara Mara; Correa, Rodrigo
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.4463 ± 0.0005 Å
• b: 9.6553 ± 0.0002 Å
• c: 21.3098 ± 0.0006 Å
• α: 90°
• β: 106.906 ± 0.003°
• γ: 90°
• Cell volume: 3040.77 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No