Information card for entry 7033486

Structure parameters

• Formula: C14 H14 Cl2 Hg N2 O2
• Calculated formula: C14 H14 Cl2 Hg N2 O2
• SMILES: [Hg]1(Cl)(Cl)[n]2c(cccc2OC)C=[N]1c1c(OC)cccc1
• Title of publication: Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.
• Authors of publication: Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5306 - 5322
• a: 8.1151 ± 0.0004 Å
• b: 27.0756 ± 0.001 Å
• c: 7.9481 ± 0.0004 Å
• α: 90°
• β: 114.015 ± 0.006°
• γ: 90°
• Cell volume: 1595.2 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0857
• 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