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Information card for entry 1565714
Preview
| Coordinates | 1565714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H38 Cl N8 O4 Os |
|---|---|
| Calculated formula | C45 H38 Cl N8 O4 Os |
| Title of publication | An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations |
| Authors of publication | Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 499 |
| Pages of publication | 119193 |
| a | 11.8605 ± 0.0002 Å |
| b | 13.5233 ± 0.0003 Å |
| c | 14.3278 ± 0.0003 Å |
| α | 67.07 ± 0.002° |
| β | 76.321 ± 0.002° |
| γ | 67.853 ± 0.002° |
| Cell volume | 1949.49 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 271366 (current) | 2021-12-13 | cif/ Adding structures of 1565712, 1565713, 1565714 via cif-deposit CGI script. |
1565714.cif |
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Users of the data should acknowledge the original authors of the
structural data.