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Information card for entry 4128107
Preview
| Coordinates | 4128107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H28 N6 O4 Ru |
|---|---|
| Calculated formula | C44 H28 N6 O4 Ru |
| SMILES | [Ru]1234([n]5c(cc(c6ccc(C(=O)[O-])cc6)cc5c5[n]2cccc5)c2[n]1cccc2)[n]1c(cc(cc1c1[n]3cccc1)c1ccc(cc1)C(=O)[O-])c1[n]4cccc1 |
| Title of publication | Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction. |
| Authors of publication | Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 17 |
| Pages of publication | 7115 - 7121 |
| a | 9.0259 ± 0.0004 Å |
| b | 13.1063 ± 0.0005 Å |
| c | 17.2862 ± 0.0006 Å |
| α | 78.761 ± 0.003° |
| β | 76.926 ± 0.003° |
| γ | 89.888 ± 0.004° |
| Cell volume | 1951.79 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.1382 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128107.cif |
| 221237 | 2019-11-03 | cif/ Adding structures of 4128107 via cif-deposit CGI script. |
4128107.cif |
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Users of the data should acknowledge the original authors of the
structural data.