Information card for entry 4131877

Structure parameters

• Formula: C26 H168 N13 Na19 O254 P4 Te4 W64
• Calculated formula: C1.6 N0.9 Na4.2 O264.3 P4 Te4 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: 15.2204 ± 0.0006 Å
• b: 37.8175 ± 0.0016 Å
• c: 29.2768 ± 0.0013 Å
• α: 90°
• β: 103.518 ± 0.002°
• γ: 90°
• Cell volume: 16384.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No