Information card for entry 1558534

Structure parameters

• Formula: H76 K8 N Na9 Nd2 O165 Se4 W35
• Calculated formula: K8 N Na9 Nd2 O165 Se4 W35
• SMILES: [W]1234(O[W]567([O]89[W]%10%11(O5)(O[W]5%12%13(=O)O[W]%14([O]1=[Se]9[O]%13[W]19(O[W]8(O6)(O%10)(=O)O[W]68%10(=[O][Nd]%13%15%16%17([OH2])([O]=[W]%18%19%20(=O)[O]%21%22[W]%23%24(O[W]%25%26%27(O[W]%28%29(O[W]%30%31(O[W]%32%33%34(=O)[O]%35[W]%36(O%30)(=[O][Nd]%30%37([OH2])([OH2])([O]=[W]%38%39(=[O]%16)(O[W]%16%40(O[W]%41%42([O]%40=[Se]%40[O]%43[W]%44(O%12)(O%41)(O[W]%43(O1)(=[O]%30)(O[W]1%12(O[W]%30(=[O]%16)(O[W](=O)([O]%401%30)(O%12)(O%42)O%44)(O%38)=O)(=[O]%37)=O)=O)=O)(=O)O%14)(=O)O2)O[W]12(O[W]%12(=O)(O%15)(O%18)[O]%14[W]%15(=O)(O[W]%21(O[W]%16([O]%26([W](O%25)(O1)(=O)(O%16)O%39)=[Se]%22%14)(O%27)(=O)O%15)(=O)(O%20)O%24)(O2)O%12)=O)([O]=[W]12([O]%12[W]%14(O[W]%15%16([O]%18([W](O%15)(O[W]%18(O%28)(O%31)(=O)O%16)(O[W](O%14)(O%33)(O2)=O)(O%34)=O)=[Se]%35%12)(=O)O%10)(O6)(O1)=O)(=O)O%36)([O]=%29)[O]=8)(O%32)=O)=O)(=[O]%13)O%23)=O)(=O)O%19)([O]=7)([O]=N(=O)O%17)[O]=4)O9)(=O)O5)(O%11)(O3)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[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.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Two unusual nanosized Nd³⁺-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.
• Authors of publication: Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 30
• Pages of publication: 16091 - 16101
• a: 18.6658 ± 0.0016 Å
• b: 21.9717 ± 0.0019 Å
• c: 22.0792 ± 0.0019 Å
• α: 71.751 ± 0.002°
• β: 67.119 ± 0.001°
• γ: 68.721 ± 0.002°
• Cell volume: 7616.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No