Information card for entry 4306509

Structure parameters

• Formula: C96 H160 Cl12 N12 O14 Zn6
• Calculated formula: C96 H156 Cl12 N12 O14 Zn6
• SMILES: CC1=CC(C)=[O][Zn](Cl)([O]=C(C=C(N[C@@H]2CCCC[C@H]2NC(C)=CC(C)=[O][Zn]([O]=C(C=C(N[C@@H]2[C@@H](NC(C)=CC(C)=[O][Zn]([O]=C(C=C(N[C@@H]3CCCC[C@H]3NC(C)=CC(C)=[O][Zn]([O]=C(C=C(N[C@@H]3[C@@H](NC(C)=CC(C)=[O][Zn]([O]=C(C=C(N[C@@H]4CCCC[C@H]4NC(C)=CC(C)=[O][Zn]([O]=C(C=C(N[C@@H]4[C@@H](N1)CCCC4)C)C)(Cl)Cl)C)C)(Cl)Cl)CCCC3)C)C)(Cl)Cl)C)C)(Cl)Cl)CCCC2)C)C)(Cl)Cl)C)C)Cl.O.O
• Title of publication: Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine
• Authors of publication: Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10053 - 10061
• a: 24.2216 ± 0.0008 Å
• b: 24.2216 ± 0.0008 Å
• c: 18.5242 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9411.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No