Information card for entry 4127919

Structure parameters

• Formula: C38 H102 K2.5 Na2.5 O92 P W12
• Calculated formula: C38 H45 K2.5 Na2.5 O83 P W12
• SMILES: [K+].[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.[C@@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O2)O)O)O)O)O)O)O)O)O)O)O)O.P123=[O]45[W]678(O[W]9%104(O[W]4%11%12([O]%131[W]1(O4)(O6)(O[W]4%13(O%12)(O[W]6%12%13([O]%142[W](O1)(O8)(O[W]1%14(O[W]5(O7)(O9)(O[W]25([O]73[W](O%10)(O%11)(O[W]7(O4)(O5)(O%12)=O)(O2)=O)(O1)=O)=O)(O%13)=O)(O6)=O)=O)=O)=O)=O)=O)=O.[O-]C(=O)C
• Title of publication: Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.
• Authors of publication: Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 1847 - 1851
• a: 16.7418 ± 0.0008 Å
• b: 15.6598 ± 0.0008 Å
• c: 18.4127 ± 0.0009 Å
• α: 90°
• β: 90.376 ± 0.002°
• γ: 90°
• Cell volume: 4827.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No