Information card for entry 7042873

Structure parameters

• Formula: C17 H14 Cl2 Hg N2 O
• Calculated formula: C17 H14 Cl2 Hg N2 O
• SMILES: [Hg]12(Cl)(Cl)[O](c3c([N]2=Cc2[n]1c1c(cc2)cccc1)cccc3)C
• Title of publication: A Simple Quinolone Schiff-Base Containing CHEF Based Fluorescence ‘turn-on’ Chemosensor for Distinguishing Zn2+ and Hg2+ with High Sensitivity, Selectivity and Reversible
• Authors of publication: Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Wang, Ping; Yang, Yulin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.1083 ± 0.0012 Å
• b: 8.616 ± 0.0012 Å
• c: 12.2991 ± 0.0018 Å
• α: 77.039 ± 0.004°
• β: 87.533 ± 0.004°
• γ: 82.928 ± 0.004°
• Cell volume: 830.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No