Information card for entry 7715167

Structure parameters

• Formula: K Na1.5 Nd6 O144 Sb4 W36
• Calculated formula: K Na1.5 Nd6 O144 Sb4 W36
• SMILES: [W]1234(O[W]567([O]8[W]9%10(O[W]%11%12%13(O[W]%14%15%16(O[W](O[W]%17([O]%181[W]1(=O)(=[O][Nd]%19%20%21%22%23([O]%24[W]%25%26%27([O]%28%29[W]%30%31%24(O[W]%24%28(=O)(O[W]%28%32%33(O[W]%34%35%36([O]%37%33[W](O%28)(=[O][Nd]%28%33%38%39%40([O]%19%30)([O]%19[W]%30%41%42([O]%43[W]%44%45%46(O[W]%47%48%49(=O)O[W]%50%51(O[W]%52%53([O]%54%55[W](O%30)(O[W]%30%54(O%52)(O[W]%52(O[W](O%30)(=O)(O%41)([O]%42%45[Sb]%55[O]%48%50%52)O%46)(O%49)(O%51)=O)=O)(O%53)(=O)=[O]%28)(=[O][Na]([O]=%34)[OH2]%33)=O)(=O)=[O][Na]%28[O]=[W]%30%33%34(O[W]%41%42%45(=O)O[W]%46%48%49(O[W]%50%51%52([O]%53[W]%54%55([O]%56[Nd]%57%58%59%60([O]=[W](O%54)(=O)([O]%30%42[Sb]([O]%46%52%55)[O]%30%42[W]%46(=O)(O%41)(O%49)O[W]%41%30(O[W]%42(O%46)(=[O][K]%30%42%46[O]([W]%49%52([O]%54%55[W]%61([O]%49([W]%54(O%52)([O]%55%61)(O%35)(=[O]%46)=O)[Sb]%29%37)(O%32)(O%24)=O)(=O)O%27)[Nd]%24%27([O]%20%26)([O]%51[Nd]%53%56([O]=2)([O]=7)([O]%58%24)([O]%60[Nd]%19%43([O]%44%57)([O]=%13)([O]=%10)([O]%39%59)[O]%23%40)[O]%22%27)([O]%41%30)([O]%21%38)([OH2])[OH2]%42)(O%34)=O)(O%50)=O)(O%45)O%33)([O]=%47)([OH2])[OH2]%28)(O%48)=O)=O)=O)=O)=O)=O)[OH2])(=O)(O%31)O%36)=O)=O)O%25)=O)=O)[O]=[W](=O)(O%14)([O]%11%15[Sb]8%18)(O%12)O1)(O3)O%17)(=O)(O%16)O4)(O5)(O9)=O)=O)=O)(O6)=O)=O)=O
• Title of publication: A tetrahedron-shaped polyoxoantimotungstate encapsulating a hexanuclear octahedral lanthanide-oxo cluster for an amperometric bromate sensor.
• Authors of publication: Yu, Lan; Ye, Jing; Li, Da-Huan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5258 - 5265
• a: 29.023 ± 0.006 Å
• b: 21.827 ± 0.004 Å
• c: 33.519 ± 0.007 Å
• α: 90°
• β: 90.856 ± 0.008°
• γ: 90°
• Cell volume: 21231 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No