Information card for entry 7034554

Structure parameters

• Formula: C20 H19 Cl2 Hg N4
• Calculated formula: C20 H16 Cl2 Hg N4
• SMILES: [Hg]1([N]2=C([C@@H]([C@H](c3ccccn3)C)Nc3c2cccc3)c2cccc[n]12)(Cl)Cl.[Hg]1([N]2=C([C@H]([C@@H](c3ccccn3)C)Nc3c2cccc3)c2cccc[n]12)(Cl)Cl
• Title of publication: Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.
• Authors of publication: Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8107 - 8125
• a: 11.881 ± 0.002 Å
• b: 9.393 ± 0.0019 Å
• c: 17.817 ± 0.004 Å
• α: 90°
• β: 95.76 ± 0.03°
• γ: 90°
• Cell volume: 1978.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1341
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.3298
• Weighted residual factors for all reflections included in the refinement: 0.3512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No