Information card for entry 7035268

Structure parameters

• Formula: C12 H138 K2 Li16 N2 Na6 O209 Sb10 Tb4 W36
• Calculated formula: C12 H8 K2 N2 Na6 O173 Sb10 Tb4 W36
• SMILES: [K+].O.O.O.O1[W]23(O[W]456(O[W]781(=O)[O]24[Sb]1[O]24[W]9%10%11(O[W]%12%13%14(O[W]%15(=O)(O7)(O[W]7(O[Sb]%16[O]%17[Sb]%18%19[O]%20[Sb]%21([O]%16[Tb]%16%22%23([n]%24c(cccc%24)C(=O)O%22)([O]%21[W]%21%22%24(O[W]%25%26%20(=O)O[W]%20%27(O[W]%28%29%30([O]%31%32[W]%33%34%35(=[O][Tb]%36%37%38%17([O]%19[W]%31(O%34)(O%29)(O%26)=O)([O]%17%19[W]%26%29(O[W]%31%34%39([O]%40%41[W]%42(=[O]%37)(=[O][Tb]%37%43%44([O]%45[Sb]%46%47[O]%48[Sb]%49%50[O]%51[W]%52%53(O[W]%54([O]%53([Sb]%17%41)[W]%48(=O)(O%54)(O%52)O[W]%40([O]%37%47)(O%42)(O%31)=O)(O%39)(=O)O%29)(O[W]%19(O%26)(=[O][Tb]%17%19%26%51([O]%35)([n]%29c(cccc%29)C(=O)O%26)[O]%50[Sb]%45O[W]%26(=O)(=O)(O[W]%29%31%35(O[W]%37%39(O[W]%40%41(O[W]%42%45(O%37)(=O)[O]%39%41[Sb]%37[O]%39%41[W]%47%48(O[W]%50(O[W]([O]%29%37%50)(O%42)(=O)(O[W]%39(O[W]%41(=O)(O%40)(=O)O%47)(O%45)(O%48)=O)O%35)(=O)(O%31)O%19)(O%17)=O)(=O)=O)(=O)O%26)=O)[O]%46%49)(=O)=[O]%36)=O)([O]%17([W](O%28)(O[W]%17(O%22)(=[O]%23)(=O)=[O]%43)(=[O]%44)(=O)O%27)[Sb]%32[O]%24%25%20)([O]=%33)[OH2])(O%34)=[O]%16)=O)(=[O]%38)=O)[OH2])O%30)=O)(O%21)=O)=O)([O]=9)[O]=%14)[O]7%18)(=O)(=O)O8)O[W](O5)(O%12)([O]1%13%15)(=O)O[W]2(O[W]4(O3)(=O)(=O)O%10)(O6)(O%11)=O)=O)=O)=O)(=O)=O.[Na+].[Na+].[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[K+].O.O.O.O.[Na+].O.O.O.O.O.O.O.O
• Title of publication: Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.
• Authors of publication: Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11429 - 11436
• a: 15.1737 ± 0.0014 Å
• b: 23.009 ± 0.002 Å
• c: 32.566 ± 0.003 Å
• α: 90°
• β: 77.005 ± 0.002°
• γ: 90°
• Cell volume: 11078.6 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 10
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No