Information card for entry 7005947

Structure parameters

• Formula: C12 H130 As4 Ce4 K2 N4 Na10 O211 W44
• Calculated formula: C12 H28 As4 Ce4 K2 N4 Na10 O196.3 W44
• SMILES: [W]12345[O]=C(O[W]678(O1)=[O][Ce]19%10%11([O]=[W]%12%13%14(O[W]%15%16([O]%17%18[W]%19%20(O[W]%21%22(O[W]%23%24%25([O]%26%27[W]%28%29(O[W]%30%31%32([O]%33%34[W]%35%36(O%31)(O[W]%31%37%38(O[W]%39%40([O]%41([W](=O)(O%24)(O%21)(O[W]%41(O%30)(=O)(O%29)O%40)O%39)[As]%27%34)(O%35)=O)[O]=C(O[W]%21%24%27(O%31)=[O][Ce]%29%30%31%34([O]=[W](O[W](O%37)(O%27)(=[O][Ce]%27%35([O]=3)([O]=[W]3%37%39([O]%40%41[W]%42(O[W]%43%40(O[W]%40%44%45(O[W]%46(O3)([O]3%40[W]%40(O[W]%47(O[W]%48%49%50([O]%51%52[W]%53%54(O[W]%55%56%57(O[W]%58(O%48)([O]%48%55[W](=O)(O[W]%55%59(O[W]%60(O%54)([O]%55([W](O[W]%51(O%53)(=[O]%31)(=O)O%50)(=[O]%29)(=O)(O%59)O%60)[As]%52%48)(O%56)=O)(O%24)=O)(O%58)(O%21)O%57)(O%47)=O)=O)(O%49)=O)=O)(=[O]%30)(O[W]%21%24([O]%29([W](O%42)(=O)(O%24)(O[W]%29(O%43)(=O)(O%44)O%21)O5)[As]%413)(=O)O%40)=[O]%35)(O%46)(=O)O%45)(=O)=[O]%27)=O)(O%37)=O)(O4)(O%39)=O)=O)([O]=C(O%10)C(C)[NH3+])([OH2])([OH2])[OH2])(=[O]%11)=O)(O2)(O8)(=[O][Ce]2([O]=[W]%33(O[W]%26(O%28)(O%23)(=O)=[O]2)(O%32)(O%36)=O)([O]=%22)([O]=C(O%34)C(C)[NH3+])([OH2])([OH2])([OH2])[O]=%38)=O)([OH2])[OH2])C(C)[NH3+])=O)=O)(=O)O%25)=O)(=[O]1)O[W]12(O[W]345(O[W]%17(O%15)(O[W]8(O[W]%10([O]%128[As]%18[O]13[W](=O)(O%10)(O2)(O6)O5)(O7)(=O)O%13)(O4)(O%14)=O)(O%20)=O)=O)(O%19)=O)(=O)O%16)(=[O]9)=O)=O)([OH2])[OH2])C(C)[NH3+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Na+].[Na+].[Na+].[Na+].[Na+].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: 23.4483 ± 0.0015 Å
• b: 21.8764 ± 0.0013 Å
• c: 23.693 ± 0.0014 Å
• α: 90°
• β: 111.056 ± 0.001°
• γ: 90°
• Cell volume: 11342.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.1512
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No