Information card for entry 1515614

Structure parameters

• Formula: H79 Na26 O152 Te9 W28
• Calculated formula: Na12.85 O150.95 Te9 W28
• Title of publication: Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties
• Authors of publication: Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1502
• a: 19.3418 ± 0.0008 Å
• b: 21.0639 ± 0.001 Å
• c: 22.8563 ± 0.0011 Å
• α: 104.296 ± 0.004°
• β: 91.843 ± 0.004°
• γ: 92.426 ± 0.004°
• Cell volume: 9006.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No