Information card for entry 4131878

Structure parameters

• Formula: C30 H188 N15 Na17 O254 P8 W64
• Calculated formula: C19.2 N9.6 O241.2 P8 W64
• Title of publication: Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.
• Authors of publication: Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 7
• Pages of publication: 2595 - 2601
• a: 34.7924 ± 0.0017 Å
• b: 34.7924 ± 0.0017 Å
• c: 14.1405 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17117.2 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No