Information card for entry 1558789

Structure parameters

• Formula: B2 H129 Na9 O216 Si4 W40 Zr8
• Calculated formula: B2 Na9 O216 Si4 W40 Zr8
• SMILES: [Zr]123456O[Zr]789%10(O1)[O]1%11[Si]%12%13[O]%14%15[W]%16%17(O[W]%18%19([O]%12[W]%12%20(O[W]%21%22%23(O[W]%24%25%26(=[O][Zr]%27%28(O[Zr]%29%30%31(O%27)([O]%28B([O-])[O-])O=[W]%27%28%32(O[W]%33%34(O[W]%35%36%37(O[W]%38%39%40(O[W]%41(O%28)(=[O][Zr]%28%42%43(O[Zr]%44%45%46%47(O%28)[O]=[W]%28%48%49(O[W]%50%51%52(O[W]%53%54(=[O]%44)(O[W]%44%55(O[W]%56%57%58(=O)O[W]%59%60%61(O[W]([O]%28%50[Si]%28%50[O]%60[W](=[O]%45)(O%49)(O%61)(=[O][Zr]%45%49%60(O[Zr]%61%62%63(O%45)([O]%49B([O-])[O-])[O]=[W]%45%49%64([O]%65%66[Si]%67%68[O]%69%70[W]%71%72(O[W]%73%74%69(O[W]%69%70(O[W]%70(O[W](=[O]%61)(=O)(O%49)(=[O]3)[O]6%68%70)(O[W]%66(O%45)(O[W]%65(O%64)(O%74)(O[W]3(=[O]%63)(=O)(O%73)O[W](O%71)(=[O]2)(=O)(=[O]%62)[O]%673)=O)(=O)O%69)(=[O]4)=O)(O%72)=O)=O)(=O)=[O]5)=O)([O]=[W](O[W](=[O]%60)(=[O]%46)([O]%47%53%28)(=O)O%54)(O%44)([O]%55%56%50)(O%58)=O)[O]=%59)=O)(O%48)(O%57)(O%51)=O)=O)(O%52)=O)=O)=O)=O)([O]=%27)[O]23[Si]([O]%32%33)([O]%35%40%41)[O]45[W]6%27(O[W]3(=[O]%30)(O[W]2(O[W]4(O[W]5(O6)(O%34)(O%36)=O)(O%38)(O%27)=O)(O%39)(=O)=[O]%43)(=[O]%42)=O)(=[O]%31)=O)(=O)O%37)=O)=O)(=[O]%29)=O)=O)([O]=%20)([O]=[W]1(O[W]1%11(O[W](O%25)([O]%13%21%26)(O%22)(O[W]%15(O%16)(O1)(O[W]%14(O%12)(O%17)(=O)O%23)=O)=O)(=[O]8)=O)(O%24)(=[O]%10)=O)[O]=%18)=O)=O)(O%19)=O)(=O)=[O]9)(=[O]7)=O.[Na+].[Na+].O.[Na+].[Na+].[Na+].[Na+].[Na+].[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.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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: 22.7995 ± 0.0008 Å
• b: 23.4951 ± 0.0009 Å
• c: 24.1703 ± 0.0006 Å
• α: 93.532 ± 0.002°
• β: 96.446 ± 0.002°
• γ: 99.054 ± 0.003°
• Cell volume: 12663.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No