Information card for entry 4344011

Structure parameters

• Formula: C13 H12 Cl2 N2 O Zn
• Calculated formula: C13 H12 Cl2 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2OC)C=[N]1c1ccccc1
• 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: 7.996 ± 0.0016 Å
• b: 9.3788 ± 0.0019 Å
• c: 11.06 ± 0.002 Å
• α: 85.71 ± 0.03°
• β: 77.61 ± 0.03°
• γ: 65.13 ± 0.03°
• Cell volume: 734.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No