Information card for entry 7708607

Structure parameters

• Formula: C40 H26 N4 O2 S2 Zn
• Calculated formula: C40 H26 N4 O2 S2 Zn
• SMILES: [Zn]12(Oc3c(C=[N]2c2ccccc2)cccc3c2sc3c(n2)cccc3)Oc2c(cccc2c2sc3c(cccc3)n2)C=[N]1c1ccccc1
• 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: 11.4929 ± 0.0005 Å
• b: 12.7136 ± 0.0005 Å
• c: 13.859 ± 0.0004 Å
• α: 66.694 ± 0.004°
• β: 89.324 ± 0.003°
• γ: 65.169 ± 0.004°
• Cell volume: 1658.66 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0499
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No