Information card for entry 7058100

Structure parameters

• Formula: Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30
• Calculated formula: Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30
• SMILES: [Cr]12345[O]=[W]678([O]9[Dy]%10%11%12%13%14([O]=[W]%15%16%17(O[W]%18%19([O]%20%21[Ge]%22%23[O]%24%25[W]%26%27%28(O[W]%25(=[O]1)(=O)(O[W]1%24(O[W]([O]2[Dy]2%24%25%29([O]3%16)([O]5[W]35%16(=[O][Cr]%30%31%32%33[O]%34[Dy]%35%36%37%38([O]=[W]%39%40%41(O[W]%42%43([O]%44%45[Ge]%46%47[O]%48%49[W]%50%51%52(O[W]%53%54%49(=[O][Cr]%49%559([O]=[W]9%34(O[W](=[O]%36)(O%51)(=O)(O[W]%45(O[W]%34%44(O%42)(O[W]%48(O[W]([O]%13%49)(O%39)(=O)(O%34)[O]%41%46%55)(O%50)(=O)O%53)=O)(O%43)(=O)O%52)[O]%37%479)(=O)O%54)[O]%14%40)=O)=O)(=[O]%35)=O)=O)([OH2])([OH2])[O]%31[W]9%13%14(O[W]%31%34%35(O[W]%36%37(O[W]%39[O]%40%36[Ge]%36([O]%41%34[W](O[W]%41(=[O]%30)(=O)(O%35)O5)(O%31)(O[W](O3)(=[O]%25)(=O)(=O)[O]%29%16%36)(=O)=O)[O]%33%14[W](O[W]%40(=[O]%24)(O%37)(O%39)=O)(=O)(=[O]2)(O9)[O]%32%38)(O%13)=O)=O)=O)=O)([OH2])[OH2])(O%15)(=O)(O[W]%20(O[W]%21(O%19)(=O)(O[W](O6)(=[O]%11)(O%27)(=O)[O]8%12%23)O%28)(O%18)(O1)=O)[O]4%17%22)(O%26)=O)O7)=O)(=[O]%10)=O)=O)([OH2])[OH2])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Two rare Cr–Ln (Ln = Dy, Tb) heterometallic cluster substituted polyoxometalates featuring hexameric aggregates: hydrothermal syntheses, crystal structures and magnetic studies
• Authors of publication: Gu, Ya-Nan; Yu, Hao; Lin, Li-Dan; Wu, Yan-Lan; Li, Zhong; Pan, Wen-Yue; He, Jiang; Chen, Ling; Li, Qi; Li, Xin-Xiong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 3011
• a: 29.0717 ± 0.0018 Å
• b: 29.0717 ± 0.0018 Å
• c: 32.901 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24081 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No