Information card for entry 7245089

Structure parameters

• Formula: C15 H12 Cl2 N4 S Zn
• Calculated formula: C15 H12 Cl2 N4 S Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(cccc3)C=[N]1Nc1scc([n]21)c1ccccc1
• Title of publication: Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity
• Authors of publication: Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.4123 ± 0.0006 Å
• b: 16.1476 ± 0.0012 Å
• c: 14.1477 ± 0.0011 Å
• α: 90°
• β: 103.092 ± 0.008°
• γ: 90°
• Cell volume: 1649.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No