Information card for entry 4332909

Structure parameters

• Formula: C23 H16 Cl2 Hg N8
• Calculated formula: C23 H16 Cl2 Hg N8
• SMILES: c1[n]2[Hg]3(Cl)(Cl)[N](Nc4[n]3nc(c3ncccc43)c3ncccc3)=C(c2ccc1)c1ncccc1
• 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: 10.558 ± 0.001 Å
• b: 14.587 ± 0.001 Å
• c: 15.36 ± 0.001 Å
• α: 90°
• β: 107.09 ± 0.01°
• γ: 90°
• Cell volume: 2261.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No