Information card for entry 4307788

Structure parameters

• Formula: C68 H64 Hg N16 O19
• Calculated formula: C68 H64 Hg N16 O19
• SMILES: [Hg]12([n]3ccccc3C=[N]1NC(=O)c1ccccc1C1=c3c(Oc4c1cc(c(c4)NCC)C)cc(c(c3)C)=[NH+]CC)[n]1ccccc1C=[N]2NC(=O)c1ccccc1C1=c2cc(c(cc2Oc2cc(c(cc12)C)NCC)=[NH+]CC)C.CC#N.CC#N.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: Highly Sensitive Fluorescent Probe for Selective Detection of Hg2+ in DMF Aqueous Media
• Authors of publication: Dayu Wu; Wei Huang; Chunying Duan; Zhihua Lin; Qingjin Meng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1538 - 1540
• a: 15.057 ± 0.006 Å
• b: 15.887 ± 0.006 Å
• c: 18.534 ± 0.007 Å
• α: 74.932 ± 0.005°
• β: 70.676 ± 0.006°
• γ: 71.248 ± 0.005°
• Cell volume: 3903 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No