Information card for entry 7034559

Structure parameters

• Formula: C21 H21 Cl2 N4 O0 Zn
• Calculated formula: C21 H20 Cl2 N4 Zn
• SMILES: [Zn]1([N]2=C(c3cccc[n]13)CC(C)(c1ccccn1)Nc1c2ccc(c1)C)(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: 10.18 ± 0.002 Å
• b: 13.936 ± 0.003 Å
• c: 14.518 ± 0.003 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 2059.1 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2347
• Residual factor for significantly intense reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No