Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4121557
Preview
Coordinates | 4121557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Co16 H92 Na28 O204 P8 W36 |
---|---|
Calculated formula | Co16 Na18 O204 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.[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 | 35.8365 ± 0.0017 Å |
b | 35.8365 ± 0.0017 Å |
c | 35.8365 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 46023 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0951 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.244 |
Weighted residual factors for all reflections included in the refinement | 0.2541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121557.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.