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Information card for entry 4121563
Preview
Coordinates | 4121563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As4 Co16 H120 Na28 O218 P4 W36 |
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Calculated formula | As4 Co16 Na12 O217.96 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=[As]%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=[As]%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=[As]%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=[As]%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+].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.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 | 35.514 ± 0.004 Å |
b | 35.514 ± 0.004 Å |
c | 35.514 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 44792 ± 9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0768 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1731 |
Weighted residual factors for all reflections included in the refinement | 0.1898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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