Information card for entry 4344014

Structure parameters

• Formula: C14 H14 Cl2 Hg N2 O
• Calculated formula: C14 H14 Cl2 Hg N2 O
• SMILES: [Hg]1(Cl)(Cl)[n]2c(cccc2OC)C=[N]1c1c(cccc1)C
• Title of publication: Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.
• Authors of publication: Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7742 - 7752
• a: 12.827 ± 0.002 Å
• b: 7.7544 ± 0.0015 Å
• c: 18.21 ± 0.002 Å
• α: 90°
• β: 121.45 ± 0.009°
• γ: 90°
• Cell volume: 1545.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No