Information card for entry 7035272

Structure parameters

• Formula: C12 H118 Ho4 Li17 N2 Na7 O199 Sb10 W36
• Calculated formula: C12 H8 Ho4 N2 Na7 O173.5 Sb10 W36
• SMILES: c1cccc2C(O[Ho]34567([n]12)[O]=[W]1289O[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19%20([O]%14%18[Sb]%14[O]%18%21[Ho]%22%23%24%25([O]%26[Sb]%27[O]4[Sb]4%28[O]([W]%29(O[W]%30%31%32([O]%33%34[W]%35%36(O[W]%37%38%39([O]%40%41[W](O%38)(=O)(O[W]%40(O[W]%38%40(=[O]6)(O[W]6(O%37)(O[W](O%29)([O]%386[Sb]%34%41)(O%40)(=O)O%32)(=O)O%36)=O)(=[O]3)(O%39)=O)(=O)O[W]%33(=O)(O%35)(=O)O%31)=O)(=O)O%30)=O)(=O)(=O)O%27)[Sb]3%26[O]%28[W]6%26%27(O[W]%28%29(O[W]%30%31%32(=[O][Ho]%33%34%35%36([n]%37ccccc%37C(O%34)=O)([O]%34[Sb]%37[O]%38[Ho]%39%40([O]%41%42[Sb]%43[O]%44%26[W]%26%45(O[W]%44(O6)(O[W]%42(O[W]%41(=O)(O[W](O%28)(O%26)([O]%29%30%43)(O%31)=O)(=[O]%39)O%45)(=[O]%40)(=O)=[O]7)(=O)[O]54)(O%27)=O)([OH2])([O]=%32)([O]%12[Sb]4%38[O]([W]5(O[W]67%12(O[W]%26%27%28(O[W]%29%30%31([O]%32%38[W]%39(O%30)(=O)(O[W]%32(O[W]%30%32(=[O]%35)(O[W]%35(O[W](O5)([O]%30%35[Sb]%38[O]6%26[W](=O)(O%27)(O7)(=O)O%39)(O%32)(=O)O%12)(O%29)(=O)O%28)=O)(=[O]%36)(O%31)=O)=O)=O)=O)=O)(=O)(=O)O%37)[Sb]%34([O]%17%33)[O]%134)[O]=9)[O]=[W]%21(O%16)(O[W]%18(=O)(O[W](O%10)(O%19)([O]1%11%14)(O2)=O)(=[O]%22)O%20)(=[O]%25)=O)=[O]%24)([O]%233)=O)=O)([OH2])[O]=8)(O%15)=O)=O)=O)=O)=O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].O.[Na+].O.O.O.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: 14.509 ± 0.0015 Å
• b: 20.299 ± 0.002 Å
• c: 21.776 ± 0.002 Å
• α: 72.271 ± 0.002°
• β: 70.725 ± 0.002°
• γ: 74.329 ± 0.002°
• Cell volume: 5662.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No