Information card for entry 4123525

Structure parameters

• Formula: C96 H160 La Mo12 O129 P
• Calculated formula: C96 H160 La Mo12 O129 P0.5
• 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: 23.5194 ± 0.0008 Å
• b: 24.5275 ± 0.0008 Å
• c: 18.4585 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10648.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No