Information card for entry 7034558

Structure parameters

• Formula: C20 H18 Cl2 N4 O0 Zn
• Calculated formula: C20 H18 Cl2 N4 Zn
• SMILES: [Zn]1([N]2=C(c3cccc[n]13)CC(C)(c1ccccn1)Nc1c2cccc1)(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: 13.404 ± 0.003 Å
• b: 15.715 ± 0.003 Å
• c: 19.102 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4023.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No