Information card for entry 4126339

Structure parameters

• Formula: C96 H239 Br12 K2 O180.5 P2 Ta6 W18
• Calculated formula: C96 H160 Br12 K1.5 O148 P2 Ta6 W18
• 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: 23.985 ± 0.003 Å
• b: 23.985 ± 0.003 Å
• c: 89.175 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51301 ± 14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.72931 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No