Information card for entry 4126343

Structure parameters

• Formula: C96 H206 Cl1.2 Cs Na6.2 O165 P2 W18
• Calculated formula: C96 Cl Cs Na3 O151 P2 W18
• SMILES: [W]1234(=O)O[W]567([O]84[W]4(O2)(O5)(=O)O[W]259(O[W]%10%11%12(O[W]%13%14%15(O[W]%16(O6)(O2)([O]9=P28[O]6[W]8(O4)(O5)(=O)O[W]45(O%12)(=O)O[W]9%12(O%11)(O[W]%11%17(O%14)(O[W]%14%18(O[W]%19(O7)(O[W]7(O3)(O[W]6(O1)(O8)(O[W]13(O4)([O]5=P4([O]%10%15)[O]%18[W](O7)(O1)(=O)(O%14)O[W](O3)(O%11)([O]9%174)(O%12)=O)=O)=O)(=O)[O]2%19)(=O)O%16)(O%13)=O)=O)=O)=O)=O)=O)=O)=O.O1[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@@H]1[C@@H]([C@H]2O)O)CO)CO)CO)CO)CO)CO)CO)CO.O1[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H](C2)=O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]2O[C@@H]([C@@H]1[C@@H]([C@H]2O)O)CO)CO)CO)CO)CO)CO)CO)CO.O.[Cs+].[Na+].[Na+].[Na+].[Cl-].O.O.O.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: 17.2589 ± 0.0016 Å
• b: 31.374 ± 0.003 Å
• c: 41.297 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22362 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.1302
• Weighted residual factors for significantly intense reflections: 0.31
• Weighted residual factors for all reflections included in the refinement: 0.3181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No