Information card for entry 7034555

Structure parameters

• Formula: C20 H24 Cl4 Hg2 N4 O2
• Calculated formula: C20 H24 Cl4 Hg2 N4 O2
• SMILES: [Hg]1([n]2c(cccc2OC)C=[N]1[C@@H]1CCCC[C@H]1[N]1[Hg]([n]2c(C=1)cccc2OC)(Cl)Cl)(Cl)Cl.[Hg]1([n]2c(cccc2OC)C=[N]1[C@H]1CCCC[C@@H]1[N]1[Hg]([n]2c(C=1)cccc2OC)(Cl)Cl)(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: 13.266 ± 0.003 Å
• b: 12.294 ± 0.003 Å
• c: 16.037 ± 0.003 Å
• α: 90°
• β: 92.24 ± 0.03°
• γ: 90°
• Cell volume: 2613.5 ± 1 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: 0.0863
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No