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Information card for entry 7708401
Preview
| Coordinates | 7708401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H84 Co4 N6 O31 |
|---|---|
| Calculated formula | C58 H84 Co4 N6 O31 |
| Title of publication | Facile water oxidation by dinuclear mixed-valence CoIII/CoII complexes: the role of coordinated water |
| Authors of publication | Dey, Atanu; Guha, Anku; Kumar, Vierandra; Bawari, Sumit; Narayanan, Tharangattu N.; Chandrasekhar, Vadapalli |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 8.9294 ± 0.0002 Å |
| b | 10.1492 ± 0.0003 Å |
| c | 19.8943 ± 0.0005 Å |
| α | 85.875 ± 0.002° |
| β | 89.344 ± 0.002° |
| γ | 74.882 ± 0.002° |
| Cell volume | 1735.99 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269276 (current) | 2021-09-24 | cif/ Adding structures of 7708401, 7708402 via cif-deposit CGI script. |
7708401.cif |
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Users of the data should acknowledge the original authors of the
structural data.