Information card for entry 4128899

Structure parameters

• Formula: C20 H112 Mo2 N10 Na O96 P Se W22
• Calculated formula: C4.8 Mo1.98 N2.4 O83 P Se W22.02
• Title of publication: Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.
• Authors of publication: Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 34
• Pages of publication: 13479 - 13486
• a: 22.557 ± 0.0018 Å
• b: 22.557 ± 0.0018 Å
• c: 22.557 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11477.4 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No