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Information card for entry 4134046
Preview
| Coordinates | 4134046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H39 F12 N5 O3 P2 Ru |
|---|---|
| Calculated formula | C33 H37.2 F12 N5 O3 P2 Ru |
| Title of publication | Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes. |
| Authors of publication | Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 10.1169 ± 0.0007 Å |
| b | 10.8235 ± 0.0007 Å |
| c | 19.72 ± 0.0013 Å |
| α | 96.808 ± 0.004° |
| β | 98.601 ± 0.004° |
| γ | 101.702 ± 0.003° |
| Cell volume | 2065.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247265 (current) | 2020-01-28 | cif/ Adding structures of 4134046 via cif-deposit CGI script. |
4134046.cif |
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