Information card for entry 4123526

Structure parameters

• Formula: C84 H158 La Mo12 O146 P
• Calculated formula: C84 H158 La Mo12 O146 P
• SMILES: O[C@H]1[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]8O[C@@H]([C@@H](O2)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)[C@@H]1O)CO.O[C@H]1[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]8O[C@@H]([C@@H](O2)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)[C@@H]1O)CO.[Mo]1234([O]56[Mo]78(O4)(O[Mo]49%10([O]%11%12[Mo]%13%14(O[Mo]%15%16%17([O]%18%19[Mo]%20(O%15)(O[Mo]%18(O2)(O%16)(O[Mo]%11(O1)(O%14)(=O)O9)=O)(O[Mo]5(O3)(O8)(O[Mo]12(O%20)([O]3([Mo](O%17)(O%13)(O[Mo]3(O%10)(O7)(O2)=O)(O1)=O)=P6%12%19)=O)=O)=O)=O)(O4)=O)=O)=O)=O.[La]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Complexation of polyoxometalates with cyclodextrins.
• Authors of publication: Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 12
• Pages of publication: 4111 - 4118
• a: 15.2351 ± 0.0007 Å
• b: 42.456 ± 0.002 Å
• c: 15.4011 ± 0.0007 Å
• α: 90°
• β: 101.763 ± 0.002°
• γ: 90°
• Cell volume: 9752.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No