Information card for entry 4348661

Structure parameters

• Formula: C68 H88 Cl4 N8 O16 Zn2
• Calculated formula: C68 H88 Cl4 N8 O16 Zn2
• SMILES: [C@@H]12[C@H]([N]3=Cc4c5[OH][Zn]63([N]1=Cc1c(c(cc(c1)Cl)CN(Cc1c3[OH][Zn]78([N](=Cc9c(c(cc(c9)Cl)CN(Cc5cc(c4)Cl)CCc4ccccc4)O8)[C@H]4[C@H]([N]7=Cc3cc(c1)Cl)CCCC4)[OH2])CCc1ccccc1)O6)[OH2])CCCC2.N(=O)(=O)[O-].OCC.OCC.N(=O)(=O)[O-].OCC.OCC
• 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: 14.83 ± 0.002 Å
• b: 14.83 ± 0.002 Å
• c: 33.197 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7301 ± 2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No