Information card for entry 4128902

Structure parameters

• Formula: C60 H291 Mo4 N30 Na O251 Se7 W62
• Calculated formula: C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001
• 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: 17.7735 ± 0.0013 Å
• b: 20.1721 ± 0.0014 Å
• c: 22.3319 ± 0.0016 Å
• α: 99.133 ± 0.004°
• β: 102.654 ± 0.004°
• γ: 96.166 ± 0.004°
• Cell volume: 7628.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No