Information card for entry 4131653

Structure parameters

• Formula: C192 H926 K3 Mo154 Na15 O979 P2 W18
• Calculated formula: C192 Mo154 Na1.5 O754 P2 W18
• Title of publication: Nonconventional Three-Component Hierarchical Host-Guest Assembly Based on Mo-Blue Ring-Shaped Giant Anion, γ-Cyclodextrin, and Dawson-type Polyoxometalate.
• Authors of publication: Moussawi, Mhamad Aly; Haouas, Mohamed; Floquet, Sébastien; Shepard, William E.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.; Cordier, Stéphane; Ponchel, Anne; Monflier, Eric; Marrot, Jérôme; Cadot, Emmanuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 41
• Pages of publication: 14376 - 14379
• a: 25.01 ± 0.002 Å
• b: 28.505 ± 0.003 Å
• c: 38.129 ± 0.003 Å
• α: 104.196 ± 0.004°
• β: 101.863 ± 0.004°
• γ: 91.09 ± 0.005°
• Cell volume: 25720 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2469
• Residual factor for significantly intense reflections: 0.172
• Weighted residual factors for significantly intense reflections: 0.4198
• Weighted residual factors for all reflections included in the refinement: 0.4778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No