Information card for entry 4348659

Structure parameters

• Formula: C66 H84 Cl4 N8 O18 Zn2
• Calculated formula: C66 H84 Cl4 N8 O18 Zn2
• SMILES: c12[O][Zn]34([N]5=Cc1cc(cc2CN(Cc1c2[OH][Zn]67([N](=Cc8c(O7)c(cc(c8)Cl)CN(Cc7c([OH]4)c(C=[N]3[C@@H]3[C@@H]5CCCC3)cc(c7)Cl)CCc3ccc(O)cc3)[C@@H]3[C@@H]([N]6=Cc2cc(c1)Cl)CCCC3)[OH]C)CCc1ccc(O)cc1)Cl)[OH]C.N(=O)(=O)[O-].OC.OC.N(=O)(=O)[O-].OC.OC
• Title of publication: Construction of Chiral [4 + 4] and [2 + 2] Schiff-Base Macrocyclic Zinc(II) Complexes Influenced by Counterions and Pendant Arms.
• Authors of publication: Hu, Yong; Zhang, Lei; Chang, Fei-Fan; Zhao, Pei-Chen; Feng, Gen-Feng; Zhang, Kun; Huang, Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8260 - 8262
• a: 16.7895 ± 0.0012 Å
• b: 16.7895 ± 0.0012 Å
• c: 25.613 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7220 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No