Information card for entry 7122931

Structure parameters

• Formula: Ge6 Na15.66 O297.11 Tb13.92 W68
• Calculated formula: Ge6 Na15.57 O288.2 Tb13.922 W68
• SMILES: [W]12345[O]67[W]89(O[W]%10%11%12(O[W]%13%14%15([O]%16%10[W]%10(O[W]%17%18%19(=O)O[W]%20%21%22(=[O][Tb]%23%24%25%26%27%28[O]%29%30[W]%31%32(=[O]%24)(O[W]%24%33%34(O[W]%35%36([O]%37%33[W]%33(O%34)(O%36)(O[W]%34%36%38(O[W]%39%40(=[O]%23)(O%35)[O]%23%36[Tb]%35%36%41%42([O]=%39)([O]=[W]%39%29(O[W]%29%43(O[W]%44(O%34)(=O)([O]%43([W](O%24)(O%31)(=O)(O%29)O%44)[Ge]%30%37%23)O%33)(=[O]%35)=O)(=[O][Tb]%23%24%29%30%31%33[O]%34[W]%35%37%43%44O[W]%45%46%47([O]%48%49[W]%50%51(O[W]%52%48(O[W]%48(=O)([O]%29%43[Ge]%29%49[O]%43%49[W]%53%54(=[O]%23)(O[W]%43(O[W]%49(=O)(O%52)(O%48)O%53)(=O)(O%51)O[W]%23%43(=O)(=[O][Tb]%48%49%51%52([O]=[W]%53%55%56%57[O]%58%59[W]%60%61(O[W]%62%63%64([O]%65%66[W]%67%68(=[O][Tb]%69%70%71%58([O]=%60)([O]=%57)[O]=[W]%57(=O)=[O][Tb]%58%60%72%73%74%75[O]=[W]%76%77%78(O[W]%79%80(O[W]%81%82%83(O[W]%84%85(=O)(O[W]%86%87(O[W]%88%89%90(=[O][Tb]%91([O]=%76)([O]=[W]([O]%29%23%48)(=[O]%24)(=[O]%49)(O%43)O%54)([O]=%86)([O]%87%89[Ge]%23([O]%58%77%79)[O]%81%84[W](O[W]%24%29(O[W]%43(O%80)(O%82)([O]%23%24[W](O%78)(O%43)(O%29)(=[O]%91)=O)=O)(=O)O%90)(=O)(O%85)(O%88)O%83)([O]=[W](=[O]%31)(=O)=[O]%41)[O]=[W]%23%24([O]%33[Tb]%29%31%34([O]%22[Tb]%22%33([O]=%35)([O]=[W]%34%35(O[W]%41(O8)(O%11)(O[W](O%34)([O]%35%41[Ge]7%16[O]%17%21%22)(O%10)(O%19)=O)=O)(O3)=O)([O]=4)([O]=%18)[O]%29[W]3([O]4[W](=[O]%73)(=[O]%70)(O%23)[O]7[Tb]8%10%11%16%17([O]%18[W]%19%21%22%23O[W]%29%34([O]8%19[Ge]8%19[O]%35%41[W]%43%48(O[W]%49%54%35(O[W]%35%58%70(O[W]%73(=[O][Tb]%76([O]=[W]%77%78([O]%798[W](O%77)(O%34)(O[W]%79(O%35)(O%78)(O%54)=O)(O[W]%41(O%29)(O%49)(O%43)=O)=O)(O%21)=O)([O]=%58)([O]=%40)([O]=%22)([O]%19%70%73)[O]=[W](=[O][Tb]86([O]=%20)([O]=9)([O]2[Tb]47%18([O]2[W]4([O]67[W]9%18(O4)(O[W]%65(O%62)(O[W]4%19(=O)(O[W]%20(O[W](O%55)(=[O][Tb]26([O]=1)([O]=%56)([O]=%18)([O]=[W](=[O]%51)(=[O]%33)=O)[O]=3)(O4)([O]%19%20[Ge]%59%667)=O)(=O)(O%63)O%61)O9)(O%68)=O)=O)(O%67)(=[O]%17)=[O]%71)[O]8[W]([O]%28%31)=[O]%76)([O]=%14)[O]=%23)(=[O]%26)=O)(=[O]%74)(O%48)=[O]%11)=O)=O)(=[O]%16)=O)(=[O]%10)=O)[O]=%57)(=[O]%52)O%24)([O]%25%39)[OH2])=[O]%42)=O)(=[O]%60)=[O]%69)=[O]%72)=O)(=O)=[O]%75)=[O]%36)(O%64)=O)=O)(O%53)=O)([O]=%37)[O]=%47)O%50)=O)(=[O]%30)O%44)(O%46)=O)(O%45)=O)=O)O%32)[O]=%38)=O)=O)(=O)=[O]%27)=O)=O)O%13)(O%12)(O%15)=O)=O)=O)(=O)O5.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O
• Title of publication: Octahedron-shaped three-shell Ln14-substituted polyoxotungstogermanates encapsulating a W4O15 cluster: luminescence and frequency dependent magnetic properties
• Authors of publication: Wang, Yong-Jiang; Wu, Shi-Yu; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 24.294 ± 0.002 Å
• b: 25.167 ± 0.002 Å
• c: 27.2 ± 0.003 Å
• α: 97.093 ± 0.002°
• β: 96.008 ± 0.002°
• γ: 97.663 ± 0.002°
• Cell volume: 16231 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No