Information card for entry 1515613

Structure parameters

• Formula: H130 K24 O177 Te8 W28
• Calculated formula: K23.2 O150.878 Te8 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: 19.7207 ± 0.0004 Å
• b: 37.8627 ± 0.0011 Å
• c: 22.6396 ± 0.0004 Å
• α: 90°
• β: 104.374 ± 0.002°
• γ: 90°
• Cell volume: 16375.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No