Information card for entry 1563870

Structure parameters

• Formula: C22 H16 N2 S4 Zn
• Calculated formula: C22 H16 N2 S4 Zn
• SMILES: [Zn]12(Sc3c([N]1=Cc1sccc1)cccc3)Sc1ccccc1[N]2=Cc1sccc1
• 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: 9.9123 ± 0.0006 Å
• b: 10.5448 ± 0.0007 Å
• c: 11.1278 ± 0.0006 Å
• α: 78.944 ± 0.005°
• β: 74.356 ± 0.005°
• γ: 70.717 ± 0.006°
• Cell volume: 1050.42 ± 0.12 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No