Information card for entry 4514496

Structure parameters

• Formula: C126 H210 Cl4 K Na7 O154 Si W12
• Calculated formula: C126 H201 Cl4 K Na7 O154 Si W12
• SMILES: [K+].[Cl-].[Cl-].[Cl-].[Cl-].OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](CO)O[C@@H]([C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O2)O)O.[W]1234([O]56[W]78(O[W]9%10%11(O[W]%12%13%14([O]%15%16[W]%17(O[W]%16(O%12)(=O)(O8)O3)(=O)(O[W]38(O4)([O]4%12[Si]6%15[O]69[W]9(O%14)(O[W]4(O%17)(=O)(O3)O[W]3%12(O[W]5(O7)(O2)(=O)O[W]6(O9)(O%11)(O3)=O)(O8)=O)(O%10)=O)=O)O%13)=O)=O)(O1)=O)=O.[Na+].[Na+].O[C@H]1[C@H]2[C@@H](CO)O[C@@H]([C@@H]1O)O[C@@H]1[C@@H](CO)O[C@@H]([C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O2.[Na+].O.O.O.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H](CO)O[C@@H]([C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O2)O)O)O.[Na+].O.[Na+].O.[Na+].[Na+].O.O.O.O
• Title of publication: Self-Assembled Supramolecular Polyoxometalate Hybrid Architecture as a Multifunctional Oxidation Catalyst.
• Authors of publication: Ni, Lubin; Li, Huan; Xu, Hongjie; Shen, Chao; Liu, Ruzhang; Xie, Ju; Zhang, Fengmin; Chen, Chong; Zhao, Hongxia; Zuo, Tongfei; Diao, Guowang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 38708 - 38718
• a: 21.114 ± 0.002 Å
• b: 21.114 Å
• c: 44.213 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17070 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No