Information card for entry 7225874

Structure parameters

• Formula: C14 H12 Hg2 N4 O6
• Calculated formula: C14 H12 Hg2 N4 O6
• SMILES: [Hg]1([n]2c3c4c(ccc(C)[n]14)ccc3ccc2C)[Hg](ON(=O)=O)ON(=O)=O
• Title of publication: A facile, fast responsive and highly selective mercury (II) probe: characterized by the fluorescence quenching of 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks
• Authors of publication: Shan, Fa-Shuo; Lai, Jia-Ping; Sun, Hui; Zhang, Ping; Luo, Chong; He, Yan-Hui; Feng, Huan-Ran
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.117 ± 0.003 Å
• b: 20.587 ± 0.006 Å
• c: 8.167 ± 0.003 Å
• α: 90°
• β: 95.673 ± 0.006°
• γ: 90°
• Cell volume: 1692.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No