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Information card for entry 7063711
Preview
| Coordinates | 7063711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47.5 H52.12 Cl2 Co N6 O9.56 |
|---|---|
| Calculated formula | C46 H43.122 Cl2 Co N6 O6.561 |
| 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 | 10.5223 ± 0.0008 Å |
| b | 10.927 ± 0.001 Å |
| c | 19.7925 ± 0.0012 Å |
| α | 84.75 ± 0.006° |
| β | 89.913 ± 0.006° |
| γ | 83.45 ± 0.007° |
| Cell volume | 2251.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7063711.cif |
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