Information card for entry 4128895

Structure parameters

• Formula: C20 H113 Mo3 N10 Na2 O96 P2 W21
• Calculated formula: C3.9 Mo3 N2.9 Na1.4 O96.5 P2.14 W20.79
• 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: 35.244 ± 0.002 Å
• b: 21.9528 ± 0.0013 Å
• c: 15.0516 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11645.5 ± 1.1 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: 0.1443
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.2791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No