Information card for entry 1515615

Structure parameters

• Formula: Cl H142 Na27 O186 Te9 W28
• Calculated formula: Cl Na21.9 O151.8 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: 32.5176 ± 0.0006 Å
• b: 20.937 ± 0.0003 Å
• c: 27.2721 ± 0.0004 Å
• α: 90°
• β: 102.804 ± 0.002°
• γ: 90°
• Cell volume: 18105.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No