Information card for entry 7225291

Structure parameters

• Formula: C9 H11 Cl2 N5 O2 S Zn
• Calculated formula: C9 H11 Cl2 N5 O2 S Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2)C(N)=[N]1/N=C1\SCC(=O)N1.O
• Title of publication: Novel Zn(II)-thiazolone-based Solid Fluorescent Chemosensors: Naked-eye Detection for Acid/Base and Toluene
• Authors of publication: Lin, Xu-Dong; Peng, Biao; Li, Shaoyong; Shao, Jia; Li, Qingzhong; Xie, Cheng-Zhi; Xu, Jing-Yuan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.8176 ± 0.0016 Å
• b: 10.961 ± 0.002 Å
• c: 17.17 ± 0.003 Å
• α: 90°
• β: 92.17 ± 0.03°
• γ: 90°
• Cell volume: 1470.2 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No