Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230006
Preview
| Coordinates | 7230006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Co4 H20 Na10 O108 P2 W18 |
|---|---|
| Calculated formula | Co4 Na10 O108 P2 W18 |
| SMILES | O=[W]123O[W]45(=O)O[W]6(=O)(O1)O[W]178(=O)O[W]9%10(=O)(O6)O[W]6%11(=O)(O2)O[W]2%12(=O)(O3)O[W]3%13(=O)(O4)O[W](O5)([O]%13P(=O)([O]%11%12)[O]8%10)(=O)(O1)=[O][Co]14[O]3[Co]35([O]2[Co]2([O]=6)[O]=[W]68%10(=O)O[W]%11%12(=O)O[W]%13%14(=O)O[W]%15(=O)(O%11)O[W]%11(=O)(O[W]%16(=O)(O%15)(O[W]%15(=O)(O%13)(O[W]%13%17(=O)(O%14)O[W](=O)(O%12)(O8)([O]2[Co]([O]=9)([O]=7)([O]1%13)[OH2])[O]%10P(=O)([O]%15%17)[O]%11%16)=[O]4)=[O]3)(O6)=[O]5)[OH2].[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O |
| Title of publication | Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering. |
| Authors of publication | Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 6 |
| Pages of publication | 4554 - 4562 |
| a | 11.4798 ± 0.0002 Å |
| b | 13.277 ± 0.0003 Å |
| c | 18.2209 ± 0.0004 Å |
| α | 71.135 ± 0.002° |
| β | 73.672 ± 0.002° |
| γ | 73.251 ± 0.002° |
| Cell volume | 2461.78 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0602 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230923 (current) | 2019-11-17 | cif/ Updating files of 7230005, 7230006 Original log message: Adding full bibliography for 7230005--7230006.cif. |
7230006.cif |
| 205529 | 2018-01-24 | cif/ Adding structures of 7230006 via cif-deposit CGI script. |
7230006.cif |
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.