Information card for entry 1515616

Structure parameters

• Formula: H90 Na28 O163 Te10 W28
• Calculated formula: Na16.4 O153 Te9.5 W28
• SMILES: [O]12[W]34(=O)(=O)[O][W]567(=O)[O]89[W]%10%11(O7)(=O)O[W]7(=O)(=O)(O[W]2(O5)(=O)(=O)O4)O[W]([O]7[Te]18O[Te](O)O)(O%11)(=O)(=O)O[Te]12O[W]9(O6)(O%10)(=O)O[Te]4(O3)O[W]356(=O)[O]78[W]9%10(O3)(=O)O[W]8(O4)(=O)(=O)[O]3[Te]7[O]4[W]7(=O)(=O)(O[W]8(O5)(O9)(=O)O[W]4(=O)(O7)(=O)O[W]3(O8)(=O)(O%10)=O)O[Te]3(O6)O[W]45(=O)(=O)O[W]678(=O)[O]9%10[W]%11(O6)(=O)(O3)O[Te]3(O[W]%12%13(=O)(=O)[O]%14[Te]9[O]4[W](O7)(O5)(=O)(=O)O[W]%14(O%12)(=O)(=O)O[W]%10(O%11)(O%13)(O8)=O)O[W]45(=O)(O2)[O]26[W]78(=O)(O4)O[W]49(O5)(=O)O[W]25(=O)(=O)O[W]2(O7)(=O)(=O)O[W](O1)(O8)(=O)(=O)[O]2[Te]6([O]4[W](=O)(O9)(O3)(O5)=O)O[Te](O)O.[Na+].O.[Na+].[Na+].[Na+].O.O.O.O.[Na+].[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].[Na+].O.O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• 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: 34.873 ± 0.0001 Å
• b: 18.6557 ± 0.0003 Å
• c: 27.5438 ± 0.0008 Å
• α: 90°
• β: 105.384 ± 0.004°
• γ: 90°
• Cell volume: 17277.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No