Information card for entry 4128894

Structure parameters

• Formula: C22 H119 Mo3 N11 Na O96 Se2 W21
• Calculated formula: C8.7 Mo3 N4.5 Na0.4 O85.7 Se2 W21
• 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: 20.577 ± 0.002 Å
• b: 21.446 ± 0.002 Å
• c: 25.391 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11205 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No