Information card for entry 7034556

Structure parameters

• Formula: C18 H22 Cl4 Hg2 N4 O2
• Calculated formula: C18 H22 Cl4 Hg2 N4 O2
• SMILES: [Hg]1([n]2c(cccc2C=[N]1CCCC[N]([Hg](Cl)Cl)=Cc1cccc(n1)OC)OC)(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: 7.8745 ± 0.0008 Å
• b: 9.5915 ± 0.001 Å
• c: 17.3499 ± 0.0018 Å
• α: 100.839 ± 0.001°
• β: 91.449 ± 0.001°
• γ: 106.925 ± 0.001°
• Cell volume: 1226.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No