Information card for entry 7104624

Structure parameters

• Formula: C48 H48 Hg N6 O8 S2
• Calculated formula: C48 H48 Hg N6 O8 S2
• Title of publication: An easily prepared hypersensitive water-soluble fluorescent probe for mercury(II) ions.
• Authors of publication: Li, Hong-Wei; Li, Yue; Dang, Yong-Qiang; Ma, Li-Jun; Wu, Yuqing; Hou, Guangfeng; Wu, Lixin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 29
• Pages of publication: 4453 - 4455
• a: 9.694 ± 0.002 Å
• b: 14.896 ± 0.004 Å
• c: 16.783 ± 0.005 Å
• α: 87.21 ± 0.011°
• β: 87.61 ± 0.011°
• γ: 85.29 ± 0.011°
• Cell volume: 2410.8 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No