Information card for entry 4126340

Structure parameters

• Formula: C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18
• Calculated formula: C144 K0.5 Na0.5 O207.5 P2 Rb3 W18
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89%10(O[W]%11%12%13(O[W]%14(O2)(O6)(=O)O[W]26%15(O[W]%16%17([O]%183P3(=[O]7[W]7%19(O5)(O[W]%18(O1)(=O)(O[W]15(=O)(O[W]%18%20(O[W]%21%22(O[W](O%16)(O6)(=O)(O1)[O]35)(=O)O[W]1(O%12)([O]%13=P3([O]56[W]%12(O%11)(O8)(=O)O[W]6(O[W](O%19)(=O)(O%18)(O9)[O]%103)(O%20)(=O)O[W]5(O%21)(O1)(=O)O%12)O%22)(O2)=O)=O)O7)O%17)=O)[O]%14%15)(=O)O4)=O)=O)=O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].O.O.O.O.O.O.O.O.O.O1[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@H]2O[C@@H]([C@@H]1[C@H](O)[C@H]2O)CO)CO)CO)CO)CO)CO)CO)CO.[Rb+].O.O.O.O.O.O
• Title of publication: Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.
• Authors of publication: Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 21.1963 ± 0.0004 Å
• b: 21.1963 ± 0.0004 Å
• c: 35.505 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13814.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No