Information card for entry 7716144

Structure parameters

• Formula: C32 H27 Cu N5 O4 S
• Calculated formula: C32 H27 Cu N5 O4 S
• SMILES: [Cu]12([S]=C(N(Cc3ccccc3)Cc3ccccc3)N=C(O1)c1ccccc1)([n]1c(c3[n]2cccc3)cccc1)ON(=O)=O
• Title of publication: Exploring the BSA- and DNA-binding, cytotoxicity, and cell cycle evaluation of ternary copper(II)/diimine complexes with <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-benzoylthiourea as promising metallodrug candidates.
• Authors of publication: Gonçalves, Guilherme R; Teixeira, Tamara; Bezerra, Daniel P.; Soares, Milena B. P.; Silva, Valdenizia R.; Santos, Luciano de S; Batista, Alzir A.; Oliveira, Katia M.; Correa, Rodrigo S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 12951 - 12961
• a: 9.2596 ± 0.0004 Å
• b: 29.1579 ± 0.0011 Å
• c: 10.9693 ± 0.0005 Å
• α: 90°
• β: 98.491 ± 0.004°
• γ: 90°
• Cell volume: 2929.1 ± 0.2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No