Information card for entry 7005949

Structure parameters

• Formula: As4 Ce4 H100 K5 Mn0.5 Na18 O199 W41
• Calculated formula: As4 Ce4 K5 Mn0.5 Na16.21 O168.53 W41
• SMILES: [W]1234(O[W]567([O]89[W]%10%11(O[W]%12%13%14([O]%15%16[W]%17%18(O[W]%19%15(=O)(O[W]%15(=O)([O]3([W](O1)(=[O][Ce]13%20%21%22([O]%23[W]%24%25([O]%26[Ce]%27%28%29%30([O]=[W]%31%32%33([O]%34%35[W]%36%37(O[W]%38%34(=O)(O[W]%34%39%40(O[W]%41%42(O[W]%43(=O)(O%31)([O]%31%41[W]%41(=O)(=[O][Ce]%44%45%46%47%26([O]%24[Ce]%24%26%23([O]=[W](=[O]3)(O%11)(O%12)=O)([O]=[W]3%11%12([O]%23%48[W]%49%50(=O)(O[W]%51%23(O3)(=O)O[W]3%23%52([O]%53%54[W](=O)(=[O]%47)(O%23)(O[W]%53(O3)(=O)(O%49)O[W](=O)(=[O]%44)(=[O]%24)O%50)O[W]3%23(O[W]%24(=O)(O[W]([O]3%24[As]%48%54)(O%23)(=O)(=[O]%26)O%12)(O%51)O%52)(=[O]%46)=O)=O)O%11)=O)([O]=2)[O]=5)[O]=[W](O[W]2(O%36)([O]%39([W](O%34)(=[O]%45)(=O)(O2)O%41)[As]%35%31)(O%40)=O)(=O)(=[O]%28)O%37)(O%42)O%43)=[O]%29)(=O)O%38)=O)O%33)(O%32)=O)=O)([O]%21%25)[O]=[W]235(=O)O[W]%11%12(O[W]%21%23(O[W]%24%25(O[W]%26%28(O[W]%29%31(O[W]%32%33(=O)(O[W](=[O]%27)(=[O]%22)(O%29)=O)[O]%22([W](=[O]%20)(=O)(O%21)(O%32)O[W]%22(=O)(O%26)(O%24)O%33)[As]([O]%11%23%25)[O]3%28%31)(O5)=O)(=O)O2)(O%12)=O)(=[O]1)=O)(=[O]%30)=O)=O)[O]=%18)(=O)(O%17)O%15)[As]9%16)(O[W]8(O%10)(O6)(=O)O%19)O4)O%14)(O%13)=O)=O)(=O)O7)=O)=[O][Mn]([OH2])([OH2])([O]=[W]1234O[W]567([O]89[W]%10%11(O[W]%12%13%14([O]%15%16[W]%17%18(O[W]%19%15(=O)(O[W]%15(=O)([O]3([W](O1)(=[O][Ce]13%20%21%22([O]%23[W]%24%25([O]%26[Ce]%27%28%29%30([O]=[W]%31%32%33([O]%34%35[W]%36%37(O[W]%38%34(=O)(O[W]%34%39%40(O[W]%41%42(O[W]%43(=O)(O%31)([O]%31%41[W]%41(=O)(=[O][Ce]%44%45%46%47%26([O]%24[Ce]%24%26%23([O]=[W](=[O]3)(O%11)(O%12)=O)([O]=[W]3%11%12([O]%23%48[W]%49%50(=O)(O[W]%51%23(O3)(=O)O[W]3%23%52([O]%53%54[W](=O)(=[O]%47)(O%23)(O[W]%53(O3)(=O)(O%49)O[W](=O)(=[O]%44)(=[O]%24)O%50)O[W]3%23(O[W]%24(=O)(O[W]([O]3%24[As]%48%54)(O%23)(=O)(=[O]%26)O%12)(O%51)O%52)(=[O]%46)=O)=O)O%11)=O)([O]=2)[O]=5)[O]=[W](O[W]2(O%36)([O]%39([W](O%34)(=[O]%45)(=O)(O2)O%41)[As]%35%31)(O%40)=O)(=O)(=[O]%28)O%37)(O%42)O%43)=[O]%29)(=O)O%38)=O)O%33)(O%32)=O)=O)([O]%21%25)[O]=[W]235(=O)O[W]%11%12(O[W]%21%23(O[W]%24%25(O[W]%26%28(O[W]%29%31(O[W]%32%33(=O)(O[W](=[O]%27)(=[O]%22)(O%29)=O)[O]%22([W](=[O]%20)(=O)(O%21)(O%32)O[W]%22(=O)(O%26)(O%24)O%33)[As]([O]%11%23%25)[O]3%28%31)(O5)=O)(=O)O2)(O%12)=O)(=[O]1)=O)(=[O]%30)=O)=O)[O]=%18)(=O)(O%17)O%15)[As]9%16)(O[W]8(O%10)(O6)(=O)O%19)O4)O%14)(O%13)=O)=O)(=O)O7)=O)([OH2])[OH2].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[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.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[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
• Title of publication: Building block approach to nanostructures: step-by-step assembly of large lanthanide-containing polytungstoarsenate aggregates.
• Authors of publication: Chen, Weilin; Li, Yangguang; Wang, Yonghui; Wang, Enbo; Su, Zhongmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4293 - 4301
• a: 20.636 ± 0.004 Å
• b: 23 ± 0.004 Å
• c: 25.039 ± 0.004 Å
• α: 81.991 ± 0.003°
• β: 73.333 ± 0.003°
• γ: 74.835 ± 0.003°
• Cell volume: 10962 ± 3 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: 0.2194
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No