Information card for entry 1557710

Structure parameters

• Formula: C144 H165 Co Na O252 P3 W36
• Calculated formula: C144 H165 Co Na O252 P3 W36
• SMILES: [C@H]1([C@H]([C@H]2[C@@H](CO)O[C@@H]1O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@H](O)[C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O2)O)O)O)O)O[C@@H]4CO)O)O)O[C@@H]3CO)O)O[C@@H]1CO)O)O)O)O)O)O)O)O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].O[C@H]1[C@@H]2O[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]3[C@@H]([C@@H](O)[C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O2)O)O)O)O)CO)O)O)O)O)O)[C@@H](CO)O1)O)O)CO.O.O.[C@H]1([C@H]([C@H]2[C@@H](CO)O[C@@H]1O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@H](O)[C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O[C@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)O2)O)O)O)O)O[C@@H]4CO)O)O)O[C@@H]3CO)O)O[C@@H]1CO)O)O)O)O)O)O)O)O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.O1[W]23(O[W]45(O[W]67(O[W]8(O[W]9%10(O[W]%11%12(O[W]%131(=O)([O]=P1(O[W]%14(=O)(O9)(O[W](O[W]9(=O)(O[W](O6)(O[W](O%11)(=O)(O%13)O9)(O1)(=O)O4)O%14)(O7)(O8)=O)O%12)O%10)O5)=O)(=O)O2)(=O)O3)=O)=O)=O.O.O.O.O
• Title of publication: A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.
• Authors of publication: Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 10166 - 10171
• a: 41.7665 ± 0.0008 Å
• b: 41.7665 ± 0.0008 Å
• c: 41.7665 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 72859 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 7
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No