Information card for entry 4348662

Structure parameters

• Formula: C60 H62 Cl4 N8 O10 Zn2
• Calculated formula: C60 H62 Cl4 N8 O10 Zn2
• SMILES: [Zn]123([N]4=Cc5c(c(cc(c5)Cl)CN(Cc5c6c(C=[N]7[Zn]8([N](=Cc9c(c(CN(Cc%10c(c(C=[N]1[C@@H]1[C@@H]4CCCC1)cc(c%10)Cl)[OH]3)CCc1ccccc1)cc(c9)Cl)O8)[C@@H]1[C@@H]7CCCC1)(O6)ON(=O)=O)cc(c5)Cl)CCc1ccccc1)[OH]2)ON(=O)=O.[Zn]123([N]4=Cc5c(c(cc(c5)Cl)CN(Cc5c6c(C=[N]7[Zn]8([N](=Cc9c(c(CN(Cc%10c(c(C=[N]1[C@H]1[C@H]4CCCC1)cc(c%10)Cl)[OH]3)CCc1ccccc1)cc(c9)Cl)O8)[C@H]1[C@H]7CCCC1)(O6)ON(=O)=O)cc(c5)Cl)CCc1ccccc1)[OH]2)ON(=O)=O
• 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: 13.764 ± 0.004 Å
• b: 33.007 ± 0.01 Å
• c: 14.389 ± 0.004 Å
• α: 90°
• β: 111.325 ± 0.004°
• γ: 90°
• Cell volume: 6089 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No