Information card for entry 4121560

Structure parameters

• Formula: Co16 H128 Na28 O222 P8 W36
• Calculated formula: Co16 Na22 O222 P8 W36
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17(O[W]%18%19(O[W]%20(O[W](O%18)([O]%19%20P(=[O]8%12)([O]47)[O]%16%17)(O6)(=O)O%10)(=O)(O%11)O%14)(=O)O1)(O2)(=O)=[O][Co]12([O]4[Co]678%10[O]%11%12[Co]%14%16%17%18[O]%197P7%20=[O][Co]%21%22%23[O]%24[Co]%25%26%27%19[O]%19%14[Co]%14%28%29%12[O]%12[Co]%30%31%32%33[O]=P%11(O[Co]%11%34%35[O]=[W]%36%37%38(=O)O[W]%39%40%41(O[W]%42%43%44(O[W]%45%46%47(O[W]%48%49(O[W]%50(O[W]%51%52(O%48)(O[W]%48(O[W]%53(O%45)(=[O][Co](O7)([O]=%46)([O]%17[Co]([O]=P7%19O[Co]%17%19%12[O]=[W]%12%45%46(=O)O[W]%54%55(O[W]%56%57(O[W]%58%59%60(O[W]%61%62(O[W]%63(O[W]%64%65(O%61)(O[W]%61(O[W](O%58)(=[O][Co]([O]=%59)([O]%14%32)([O]%28%19)[O]=P(O2)(O[Co]2%14%24[O]=[W]%19%24%28(O[W]%32%58(O[W]%59%66%67(O[W]%68%69(O[W]%70%71%72(O[W]%73%74(O[W](O%70)([O]%72%73P(=[O]%28%32)([O]%67%69)[O]%28[W](O[W]%28(O%71)(O%68)(=O)=[O]%23)(O%19)(O%74)(=[O]%22)=O)(O%66)(=O)O%58)(=O)O%24)=O)(=[O][Co]([O]%21%25)([O]=%59)(O7)[O]%272)=O)=O)(=O)=[O]%14)=O)[O]%10%26%29)(=O)(O%65)[O]%60=P([O]%62%63%64)([O]%45%61)[O]%33%55%57)(O%12)(=O)=[O]%17)=O)(=O)(O%46)O%54)(=O)O%56)=O)(=[O]%30)=O)(=[O]%31)=O)([O]=%42)([O]=%39)([O]%16%11)[O]%41%44P(=[O]%49%50%51)([O]%37%48)[O]%47%53)[O]%18%35)(=O)O%52)(O%36)(=O)=[O]%34)=O)(=O)(O%38)O%40)(=O)O%43)=O)=O)=O)O[Co]([O]16)([O]=5)([O]=3)[O]8[Co]4(O%20)([O]=%13)[O]=9)[O]=%15)=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.[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.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• 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: 28.666 ± 0.006 Å
• b: 31.619 ± 0.006 Å
• c: 26.071 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23631 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No