Information card for entry 1563871

Structure parameters

• Formula: C26 H18 Br2 N2 S2 Zn
• Calculated formula: C26 H18 Br2 N2 S2 Zn
• SMILES: Brc1ccc(C=[N]2[Zn]3(Sc4c2cccc4)Sc2ccccc2[N]3=Cc2ccc(Br)cc2)cc1
• Title of publication: DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands
• Authors of publication: Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 310 - 320
• a: 13.2773 ± 0.0005 Å
• b: 13.6247 ± 0.0007 Å
• c: 14.428 ± 0.0006 Å
• α: 90°
• β: 111.985 ± 0.003°
• γ: 90°
• Cell volume: 2420.22 ± 0.19 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 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: 0.0803
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No