Information card for entry 1515612

Structure parameters

• Formula: C12 H154 N6 Na18 O165 Te8 W28
• Calculated formula: C7 N3.8 Na13.4 O163.9 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: 21.1146 ± 0.0006 Å
• b: 32.0756 ± 0.001 Å
• c: 12.6836 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8590.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No