Information card for entry 7034553

Structure parameters

• Common name: Zn
• Formula: C21 H28 Cl4 N4 O Zn2
• Calculated formula: C21 H28 Cl4 N4 O Zn2
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2C(=[N]1[C@@H]1CCCC[C@H]1[N]1[Zn](Cl)(Cl)[n]2c(C=1C)cccc2)C.OC.[Zn]1(Cl)(Cl)[n]2ccccc2C(=[N]1[C@H]1CCCC[C@@H]1[N]1[Zn](Cl)(Cl)[n]2c(C=1C)cccc2)C.OC
• 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: 9.094 ± 0.0018 Å
• b: 9.6731 ± 0.0019 Å
• c: 15.98 ± 0.003 Å
• α: 95.63 ± 0.03°
• β: 91.68 ± 0.03°
• γ: 109.86 ± 0.03°
• Cell volume: 1312.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No