Information card for entry 4331817

Structure parameters

• Formula: H42 K Na3 Nd2 O82 P2 W17
• Calculated formula: K Na3 Nd2 O82 P2 W17
• SMILES: [K+].O.O.O.O1[W]234(O[W]567(=O)[O]8=P9%10[O]%11[W]%12%13%14(=O)O[W]%15%16%17(O[W]%18%19%20(O[W]%21%221(O[W]1%23(O[W]%24%25(O[W]%268(O[W]8%27%28(O[W]%11(O%26)(=O)(O[W]([O]%16P(=[O]%11[W]%16(O[W]%26%29%30([O]9[W](O[W](=O)(O%13)(=[O][Nd]([O]=5)([O]=8)([O]=%26)([OH2])([OH2])([OH2])[O]=[W]589%13O[W]%26%31%32(=O)O[W]%33%34%35(=O)O[W]%36%37(=O)(O[W]%38%39%40(O[W]%41%42%43(O[W]%44%45%46(O[W]%47%48%49(O[W]%50%51(=O)([O]%52=P%53([O]%36[W]%36%54(O[W](O[W]%52(O[W]%52%55(O[W]%56(O%44)([O]%42%46P(=[O]%42[W](O[W]%42(O%26)(O%38)(O%41)=O)(O5)(=O)(O%45)O%49)([O]%48%52)[O]%39[W](O%54)(O%40)(O%56)(O%55)=O)(O%43)=O)(O%47)=O)(O%36)(O%51)=O)(=[O][Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])(=[O][Nd]([OH2])([O]=%30)([O]=%50)([O]=%33)([O]=9)([OH2])[OH2])(O%34)[O]%35%53)(=O)O%37)[O]8%32)O%13)=O)=O)=O)=O)O%31)(O%27)[O]%10%28)(O[W]%11(O%15)(O%18)(O%16)=O)(O%12)(=O)O%29)O7)(O%21)(O4)=O)([O]3%24)[O]%19%221)(O%17)(O%23)(O%25)=O)O%14)=[O][Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])(O6)=O)(O2)=O)(O%20)=O)=O)=O)=O)=O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[K+].O.O.O.[Na+].O.[Na+].[Na+].O.O.O
• Title of publication: New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations
• Authors of publication: Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2055 - 2060
• a: 17.3456 ± 0.0015 Å
• b: 23.918 ± 0.002 Å
• c: 19.3417 ± 0.0017 Å
• α: 90°
• β: 100.419 ± 0.002°
• γ: 90°
• Cell volume: 7892 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No