Information card for entry 4128898

Structure parameters

• Formula: C14 H79 Mo2 N7 O70 Se W16
• Calculated formula: C9.6 Mo1.9998 N4.8 O66.6 Se W16.0002
• 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: 21.169 ± 0.0009 Å
• b: 21.169 ± 0.0013 Å
• c: 15.8379 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120 ± 0.015°
• Cell volume: 6146.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No