Information card for entry 7221989

Structure parameters

• Formula: Cu2 Dy2 H50 K3 Na5 O91 Sb2 W18
• Calculated formula: Cu2 Dy2 K3 Na5 O91 Sb2 W18
• SMILES: [W]1234(=[O][Cu]56([OH2])[O]=[W]789(O[W]%10%11%12(=[O][Dy]%13%14([OH2])([O]=[W]%15%16([O]%17%18[W]%19%20(=[O][Cu]%21%22([OH2])[O]%23[W]%24%25(=O)(O[W]%26%27%28(O[W]%29([O]5[Dy]5%30%23([O]%24%29)([O]6[W]6%23(O[W]%24%29%31(O[W]%32(O[W]%33%34(=O)(O[W]%35%36(O[W]%37([O]%381[W](O%37)(O4)(=[O]%13)(O[W](O%35)(=O)(O%33)(=[O]%14)[O]%34%36[Sb]%38[O]%23%29%32)=O)(O2)(O%24)=O)(=O)O%31)=[O]%21)([O]56)([O]%22%30)=O)=O)(O3)=O)([OH2])[OH2])(O9)([O]%25%27[Sb]%18[O]7%11[W](O%10)(O8)(O%26)(=O)O[W]%17(O%19)(O%15)(=O)O%28)=O)=O)O%20)(O%16)=O)(O%12)=O)([OH2])([OH2])[OH2])=O)=O)=O.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Heterometallic 3d-4f Cluster-Containing Polyoxotungstate Obtained by Partial Disassembly of Preformed Large Clusters
• Authors of publication: Yao, shuang; Yan, Jinghui; Duan, Hui; Jia, Qianqian; Zhang, Zhi-Ming; Wang, Enbo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.101 ± 0.002 Å
• b: 18.624 ± 0.004 Å
• c: 22.956 ± 0.005 Å
• α: 104.53 ± 0.03°
• β: 97.88 ± 0.03°
• γ: 107.7 ± 0.03°
• Cell volume: 4642 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No