Information card for entry 7001425

Structure parameters

• Formula: As6 Cs3.3 H154 Na7.6 O314 Tb6 W63
• Calculated formula: As6 Cs3.3 Na7.6 O314 Tb6 W63
• SMILES: [As]12[O]34[W]567(O[W]894(O[W]4%10%11(O[W]%12%13%14(O[W]%15%16(=O)=[O][Tb]%17%18%19%20([O]=[W]%21%22(O4)(O8)=[O][Tb]48([O]=%15)([O]=[W]3(O9)(=O)(O[W]39(=O)(=[O]4)O[W]4(O%16)(=O)(O%12)[O]13[W](O9)(O4)(=O)(O6)O[W]([O]2%10%13)(O%11)(O%14)(=O)O7)O5)([O]=[W]1234O[W]5679O[W]%10(=[O]8)(O[W]8%11%12(O[W]%13%14(O[W]%15%16(O[W]%23%24(O[W]%25%26(O%21)(=O)O[W]%21(O8)(O%10)(=O)[O]8%25[As]%10[O]%11%13[W]%11(O%14)(O%12)(O[W]([O]%15%23%10)(O%24)(O%16)(O[W]8(O%21)(O%26)(O%11)=O)=O)=O)(O%22)=O)(=[O]%17)=O)(=[O]%18)=[O][Tb]8%10%11%12([O]=[W]%13%14%15%16O[W]%17%18%21(O[W]%22%23%24(O[W]%25%26%27(O[W]%28%29%30(O[W]%31%32%33(O[W]%34%35%36(O[W]%37(O2)(=O)(=[O][Tb]([O]=7)([O]=%34)([OH2])([OH2])([OH2])([O]=%29)[O]=%21)[O]23[As]3[O]7%21[W]%29(O9)(=O)(O1)O[W]%21(O%31)(=O)(O%28)O[W]17(O%29)(O[W]2(O4)(O%37)(O[W]([O]%32%353)(O%36)(O%33)(O1)=O)=O)=O)=O)=O)=[O][Tb]1([O]=6)([O]=[W]234(O[W]6(O%22)(O%17)(=[O][Tb]79%17([O]=%14)([O]=[W]%14%21(O[W]%22%28%29(O[W]%31%32(O[W]%33%34(=[O]%20)(O[W]%20%35(O%16)(=O)O[W]%16%36(O%15)(O[W]%15(O%22)(=O)(O%14)[O]%14%16[As]%16[O]%33%20[W]%20(O%34)(O%35)(=O)O[W]([O]%28%31%16)(O%29)(O%32)(O[W]%14(O%36)(O%15)(=O)O%20)=O)=O)=[O]8)(=[O]%10)=O)=O)(O[W]8%10%14(=O)O[W]%15%16(O%21)(=O)O[W]%20%21%22(O[W](O[W]%28%29(O%20)(=O)O[W]%20%31(=[O]7)(=O)O[W]7(=[O]9)(=O)(O8)[O]8%10[As]9[O]%28%20[W]%10(O%31)(O[W]8(O%14)(O7)(O[W]([O]%15%219)(O%16)(O%22)(O%10)=O)=O)(=O)O%29)(=[O]%11)(=[O]%17)=O)=O)=[O]%12)([OH2])[OH2])O[W]78(O3)(O[W]39%10(O[W]%11(O%30)(O[W](O2)(=[O]1)(=O)(O3)[O]%10%11[As]([O]468)[O]%24%26[W](O%23)(O9)(O7)(=O)O%27)(=O)O%25)=O)=O)=O)([O]=%18)([OH2])([OH2])[OH2])=O)=O)O%13)([OH2])[OH2])=O)(O5)=[O]%19)([OH2])[OH2])([OH2])[OH2])=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.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.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cs+].[Cs+].[Cs+].[Cs+]
• Title of publication: Caesium-templated lanthanoid-containing polyoxotungstates
• Authors of publication: Hussain, Firasat; Spingler, Bernhard; Conrad, Franziska; Speldrich, Manfred; Kögerler, Paul; Boskovic, Colette; Patzke, Greta R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4423 - 4425
• a: 23.4119 ± 0.0005 Å
• b: 25.1489 ± 0.0006 Å
• c: 28.338 ± 0.0006 Å
• α: 112.894 ± 0.002°
• β: 105.82 ± 0.002°
• γ: 92.029 ± 0.002°
• Cell volume: 14598.8 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.2533
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2351
• Weighted residual factors for all reflections included in the refinement: 0.3105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No