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Information card for entry 1570226
Preview
| Coordinates | 1570226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Co4 Fe2 H92 Na14 O114 W18 |
|---|---|
| Calculated formula | Co4 Fe2 Na14 O114 W18 |
| SMILES | O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(=O)O[W]%12%13(=O)(O2)O[W]2%14(=O)(O1)O[W]1%15%16(=O)O[W]%17(=O)(O3)(O%12)O[W]3(=O)(O1)(O5)[O]%15%17[Co]([O]468)([O]%10%132)[O]12[Co]4([O]=%11)([O]=%14)([OH2])[O]5[W]68%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O6)O[W]6%17%18(=O)O[W]%19%20(=O)(O%11)O[W]%11%21(=O)(O6)O[W]6%22%23(=O)O[W]%24(=O)(O%12)(O%19)O[W]%12(=O)(O6)(O8)[O]%22%24[Co]([O]%10%13%14)([O]%17%20%11)[O]68[Fe]1([O]7[Co]6([O]3[Fe]258([O]=%16)[O]=%15)([O]=%18)([O]=%21)[OH2])([O]=9)([O]=%23)[O]4%12.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O |
| Title of publication | Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics. |
| Authors of publication | Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 47 |
| Pages of publication | 13722 - 13733 |
| a | 21.063 ± 0.002 Å |
| b | 26.187 ± 0.002 Å |
| c | 17.8488 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9845 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288749 (current) | 2024-01-06 | cif/ Updating files of 1570226, 1570227, 1570228, 1570229 Original log message: Adding full bibliography for 1570226--1570229.cif. |
1570226.cif |
| 287179 | 2023-11-01 | cif/ Adding structures of 1570226, 1570227, 1570228, 1570229 via cif-deposit CGI script. |
1570226.cif |
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Users of the data should acknowledge the original authors of the
structural data.