Information card for entry 7224821

Structure parameters

• Formula: C20 H12 Cl2 N2 S Zn
• Calculated formula: C20 H12 Cl2 N2 S Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c3c4ccccc4ccc3sc2c2[n]1c1c(cccc1)cc2
• Title of publication: Naphthothiazole-Based Highly Selective and Sensitive Fluorescent and Colorimetric Chemosensor for Detection of Pollutant Metal Ions
• Authors of publication: Zareh Jonaghani, Mohammad; Zali Boeini, Hassan; Taheri, Reza; Amiri Rudbari, Hadi; Askari, Banafshe
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.626 ± 0.0015 Å
• b: 14.043 ± 0.003 Å
• c: 16.787 ± 0.003 Å
• α: 90°
• β: 98.269 ± 0.003°
• γ: 90°
• Cell volume: 1779.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No