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Information card for entry 7063712
Preview
| Coordinates | 7063712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48.5 H43.5 Cl3 Co N6 O14.25 |
|---|---|
| Calculated formula | C48 H42.5 Cl2 Co N6 O14.25 |
| Title of publication | Electro catalytic water oxidation by molecular Cobalt-terpyridine complexes in alkaline medium: Experimental and theoretical study |
| Authors of publication | Khan, Mohammad Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 9.3891 ± 0.0002 Å |
| b | 12.847 ± 0.0003 Å |
| c | 20.7104 ± 0.0005 Å |
| α | 91.549 ± 0.002° |
| β | 100.772 ± 0.002° |
| γ | 105.942 ± 0.002° |
| Cell volume | 2351.59 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100.15 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298534 (current) | 2025-03-20 | cif/ Adding structures of 7063711, 7063712, 7063713 via cif-deposit CGI script. |
7063712.cif |
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Users of the data should acknowledge the original authors of the
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