Information card for entry 1558790

Structure parameters

• Formula: B6 H118 Na8 O216 Si4 W40 Zr8
• Calculated formula: B6 Na8 O216 Si4 W40 Zr8
• SMILES: B(O)(O)[O]1[Zr]23456[OH][Zr]7891([O]5B(O)O)[O]=[W]15(=O)=[O][Zr]%10%11%12%13(O[W]%14%15(O1)(=O)O[Si]1%16O[W]%17%18%19(=O)O[W](O%16)(=[O]9)(=O)(O5)O[W](O%14)(O%18)(=O)O[W]5(O%15)(=O)O[W]9(=[O]%12)(=O)O[W](=[O]%11)(O1)(=O)(=[O]7)O[W](O[W](O9)(O5)(=O)O%17)(O%19)(=O)=[O]8)[OH][Zr]157([OH]%10)([O]%13B(O)O)[O]=[W]89%10(=O)O[Si]%11%12O[W]%13%14%15(=O)O[W]%16%17(O%11)(=O)O[W](O%10)(O%15)(=O)O[W]%10(O9)(=O)O[W]9(=O)(=[O]7)O[W]7(=[O]5)(O%12)(=O)O[W](O[W](O9)(O%10)(=O)O%13)(O%14)(=O)=[O][Zr]59([O]=[W](=[O]1)(=O)(O8)O%16)([O]=%17)([O]=7)[OH][Zr]78%10([O]5B(O)O)([O]9B(O)O)[O]=[W]59(=O)=[O][Zr]%11%12%13%14([O]=[W]%15%16(O9)(=O)O[Si]9%17O[W]%18%19%20(=O)O[W](O9)(=[O]%10)(=O)(O5)O[W](O%15)(O%18)(=O)O[W]5(O%16)(=O)O[W]9(=O)(=[O]%13)O[W](=[O]%12)(O%17)(=O)(=[O]8)O[W](O%19)(=O)(=[O]7)O[W](O9)(O5)(=O)O%20)[OH][Zr]157([OH]%14)([O]%11B(O)O)[O]=[W]89%10(=O)O[Si]%11%12O[W]%13%14%15(=O)O[W](O%11)(=[O]2)(=O)(O[W](=[O]7)(=[O]6)(=O)O%10)O[W](O8)(O%15)(=O)O[W]2(O9)(=O)O[W]6(=O)(=[O]5)O[W](=[O]1)(O%12)(=O)(=[O]4)O[W](O%14)(=O)(=[O]3)O[W](O6)(O2)(=O)O%13.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O
• Title of publication: Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.
• Authors of publication: Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 35
• Pages of publication: 18333 - 18341
• a: 44.1472 ± 0.0014 Å
• b: 12.5213 ± 0.0005 Å
• c: 41.9116 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23167.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No