Information card for entry 7117704

Structure parameters

• Formula: Fe11 H78 Na27 O258 Sb6 W60
• Calculated formula: Fe11 Na27 O258 Sb6 W60
• SMILES: [W]12345O[W]6789=[O][Fe]%10%11%12([O]=[W]%13%14%15(O[W]%16%17(=O)(O[W]%18%19%20(O[W]%21%22(=O)(O[W]%23%24%25(=O)=[O][Fe]%26([O]=6)([O]=%22)[O]=[W]6%22%27([O]%28%29[W]%30%31(=[O][Fe]%32%33([O]=[W]%34%35%36(O[W]%37%38%39(O[W]%40%41%42(O[W]%43%44([O]%40([W](O%43)(=O)(=[O]%32)(O%35)O%42)[Sb]%32[O]%35%40[W]%42%43(O[W]%35(O[W]%40(=O)(O%38)(O%41)O%43)(=O)(O%44)=[O]%11)(=O)O[W](=O)(O%34)(=[O][Fe]%11([O]=1)([O]9[Fe]([O]=[W]19%34(O[W]%35%38(O[W]%40%41%43%44O[W]%45%46%47%48=[O][Fe]%49%50%51([O]=[W]%52%53%54(O[W]%55%56(=O)(O[W]%57%58%59(O[W]%60%61(=O)(O[W]%62%63%64(=O)=[O][Fe]%65([O]=%45)([O]=%61)[O]=[W]%45%61%66([O]%67%68[W]%69%70(=[O][Fe]%71([O]=[W]%72%73%74(O[W]%75%76%77(O[W]%78%79%80(O[W]%81%82([O]%78([W](O%81)(=O)(=[O]%71)(O%73)O%80)[Sb]%71[O]%73%78[W]%80%81(O[W]%73(O[W]%78(=O)(O%76)(O%79)O%81)(=O)(O%82)=[O]%50)(=O)O[W](=O)(O%72)(=[O][Fe]%50([O]=%40)([O]%48[Fe]([O]=[W]%40(O[W]%48%72%73(O2)[O]2%76[W](=O)(O[W]%782(O[W]%28(O[W]2%28(=O)([O]%79([W](=O)(O[W]%79(O%30)(=O)(=[O]%33)O2)(O3)(O%28)O%72)[Sb]%29%76)O%78)(=O)(O%22)O%31)(=O)O%48)(=[O]%26)(O%27)O%73)(O[W]23(O5)(O[W]5(O%57)(=O)(O%62)O[W]%22(O[W](O%52)(O%40)(=O)(O2)[O]%54%22[Sb]([O]%55%59%60)[O]%6435)(O%58)(=O)O%53)O%63)(=[O][Fe]([O]=1)([O]=4)([OH2])([O]=%44)[OH2])O%47)(O%50)([O]=%80)([OH2])[OH2])([OH2])[OH2])(O%75)[O]%74%77%71)(=O)=[O]%49)=O)=O)=O)([O]=%46)([O]=[W]12(O%69)(O[W]34(=O)(O%43)[O]51[W]1(O[W]%67(O[W]%22%26(=O)([O]%27([W](O%41)(O%22)(O4)(O%34)O[W]%27(=O)(O%26)(=[O]%65)O%66)[Sb]%685)O1)(=O)(O%61)O%70)(=O)(O2)O3)=O)[OH2])(O%45)[OH2])=O)O%56)=O)=[O]%51)=O)[OH2])(O[W]1(O%18)(=O)(O%23)O[W]2(O[W](O%13)(O9)(=O)(O%35)[O]%152[Sb]([O]%16%20%21)[O]%25%381)(O%19)(=O)O%14)O%24)O8)(O%11)([O]=%42)([OH2])[OH2])([OH2])[OH2])(O%37)[O]%36%39%32)(=O)=[O]%10)=O)=O)=O)([O]=7)[OH2])(O6)=O)=O)O%17)=O)=[O]%12)=O)[OH2].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Efficient photocatalytic water oxidation catalyzed by polyoxometalate [Fe11(H2O)14(OH)2(W3O10)2(alpha-SbW9O33)6]^27-^ based on abundant metals
• Authors of publication: Xiaoqiang Du; Yong Ding; Fangyuan Song; Baochun Ma; Junwei Zhao; Jie Song
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13925
• a: 17.5189 ± 0.0005 Å
• b: 24.8676 ± 0.001 Å
• c: 25.0737 ± 0.0007 Å
• α: 60.828 ± 0.004°
• β: 74.889 ± 0.003°
• γ: 72.982 ± 0.003°
• Cell volume: 9028.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No