Information card for entry 7245093

Structure parameters

• Formula: C30 H24 N10 O7 S2 Zn
• Calculated formula: C30 H24 N10 O7 S2 Zn
• SMILES: [Zn]1234([n]5c(cccc5)C=[N]1Nc1scc([n]21)c1ccccc1)[n]1c(cccc1)C=[N]3Nc1scc([n]41)c1ccccc1.O=N(=O)[O-].O=N(=O)[O-].O
• 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: 10.9908 ± 0.0005 Å
• b: 12.5765 ± 0.0005 Å
• c: 14.2015 ± 0.0006 Å
• α: 108.799 ± 0.004°
• β: 94.313 ± 0.003°
• γ: 115.023 ± 0.004°
• Cell volume: 1631.88 ± 0.15 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No