Information card for entry 4121562

Structure parameters

• Formula: Co16 Ge4 H114 K2 Na30 O215 P4 W36
• Calculated formula: Co16 Ge4 Na18 O215 P4 W36
• SMILES: [W]1234([O]56[W]78(=[O][Co]9%106([O]=P6%11[O]%12%13[Co]%14%15%16%17[O]9[Co]9%18%19%20[O]%21%22[Ge]%235[O]5%24[W]%25%26(O[W]%275(O7)(O[W]5%24(O[W]7%24([O]%28%23[W](O8)(O%24)(=[O][Co]%28([O]=P8%23O[Co]%24%28%29%30[O]%31%32[W]%33%34(O[W]%35%36%37([O]%38%39[Ge]%40%32[O]%32%41[W]%42(O[W]%43%44%32(O[W]%31(=[O]%24)(O%33)(=O)O[W]%24%31([O]%32%40[W]%33%40(=[O][Co]%45%32(O6)([O]%30[Co]6%30%32%12[O]%28[Co]%39([O]=P%12%28O[Co]%39%46%47%48[O]%49%50[W]%51%52(O[W]%53%54%55([O]%56%57[Ge]%58%50[O]%50%59[W]%60(O[W]%61%62%50(O[W]%49(=[O]%39)(O%51)(=O)O[W]%39%49([O]%50%58[W]%51%58(=[O][Co]%63%64%50([O]=P%50(O[Co]%65%66%67%68[O]%69%70[W]%71%72(O[W]%73%74%75([O]%76%77[Ge]%78%70[O]%70%79[W]%80(O[W]%81%82%70(O[W]%69(=[O]%65)(O%71)(=O)O[W]%65%69([O]%70%78[W]%71%78(=[O][Co]%83%70(O%28)([O]%68[Co]%28%68%13([O]%66[Co]%77(O%11)([O]=%73)([O]%83%68)[O]=[W]%76(O%78)(O%74)(O[W]%79(O%81)(O%71)(O%80)=O)=O)[O]%15%50[Co]%11([O]%1486)([O]%46[Co]%57(O%23)([O]=%53)([O]%64%11)[O]=[W]%56(O%58)(O%54)(O[W]%59(O%61)(O%51)(O%60)=O)=O)([O]%30%12%28)[O]%48%63)[O]=%69)(O%65)=O)(O%82)=O)=O)(O%72)(=O)O%75)=O)(=[O]%67)=O)O9)[O]=%49)(O%39)=O)(O%62)=O)=O)(O%52)(=O)O%55)=O)(=[O]%47)=O)([O]=%35)([O]%45%32)[O]=[W]%38(O%40)(O%36)(O[W]%41(O%43)(O%33)(O%42)=O)=O)[O]=%31)(O%24)=O)(O%44)=O)=O)(O%34)(=O)O%37)=O)(=[O]%29)=O)([O]=7)([O]%10%16)[O]%17%19)(O%27)=O)(=O)O[W]%21(O[W]%22(O1)(=[O]%18)(O%26)=O)(=[O]%20)(O5)=O)(O%25)=O)=O)(O4)=O)[O]=3)(O2)=O)=O.[Na+].[Na+].[Na+].[Na+].[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.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.O.O.O.O
• Title of publication: Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.
• Authors of publication: Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 14
• Pages of publication: 5359 - 5366
• a: 35.6328 ± 0.0015 Å
• b: 35.6328 ± 0.0015 Å
• c: 35.6328 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45243 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No