Information card for entry 4332908

Structure parameters

• Formula: C48 H48 Hg2 N18 O12 S2
• Calculated formula: C48 H32 Hg2 N18 O12 S2
• Title of publication: A “Turn-On” Fluorescent Sensor for Selective Hg(II) Detection in Aqueous Media Based on Metal-Induced Dye Formation
• Authors of publication: Zhao, Yonggang; Lin, Zhihua; He, Cheng; Wu, Hongmei; Duan, Chunying
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10013 - 10015
• a: 7.676 ± 0.005 Å
• b: 16.301 ± 0.01 Å
• c: 22.599 ± 0.014 Å
• α: 90°
• β: 91.422 ± 0.011°
• γ: 90°
• Cell volume: 2827 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No