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Information card for entry 7712535
Preview
| Coordinates | 7712535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cl N4 O4 Ru |
|---|---|
| Calculated formula | C22 H21 Cl N4 O4 Ru |
| SMILES | [Ru]123(Cl)(OC(=O)Cc4[n]1cccc4)[n]1c(cccc1c1[n]3cccc1)c1[n]2cccc1.O.O |
| Title of publication | Electrocatalytic properties of a novel ruthenium(II) terpyridine-based complex towards CO2 reduction |
| Authors of publication | Faustino, Leandro A.; Machado, Antonio; da Silva Maia, Pedro Ivo; Concepcion, Javier; Patrocinio, Antonio Otavio |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.9094 ± 0.0008 Å |
| b | 8.9354 ± 0.0009 Å |
| c | 13.7859 ± 0.0013 Å |
| α | 92.649 ± 0.008° |
| β | 99.764 ± 0.007° |
| γ | 98.885 ± 0.007° |
| Cell volume | 1065.65 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281719 (current) | 2023-03-08 | cif/ Adding structures of 7712535 via cif-deposit CGI script. |
7712535.cif |
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