Information card for entry 7708609

Structure parameters

• Formula: C40 H26 N4 O2 S2 Zn
• Calculated formula: C40 H26 N4 O2 S2 Zn
• SMILES: [Zn]12(Oc3c(c4sc5ccccc5n4)cccc3C=[N]1c1ccccc1)Oc1c(C=[N]2c2ccccc2)cccc1c1sc2ccccc2n1
• Title of publication: Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings
• Authors of publication: Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 13.1878 ± 0.0003 Å
• b: 15.1875 ± 0.0003 Å
• c: 16.8527 ± 0.0004 Å
• α: 90°
• β: 108.139 ± 0.002°
• γ: 90°
• Cell volume: 3207.68 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0264
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No