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Information card for entry 7134803
Preview
| Coordinates | 7134803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H44 Cl2 P2 Ru S2 |
|---|---|
| Calculated formula | C39 H44 Cl2 P2 Ru S2 |
| Title of publication | A highly active sulfur based pincer ruthenium catalyst for CO2 hydrogenation |
| Authors of publication | Mondragón-Díaz, Alexander; Kelley, Steven P.; Hazari, Nilay; Bernskoetter, Wesley H. |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 38 |
| Pages of publication | 6957 - 6960 |
| a | 38.852 ± 0.004 Å |
| b | 14.8412 ± 0.0015 Å |
| c | 18.368 ± 0.0018 Å |
| α | 90° |
| β | 90.004 ± 0.003° |
| γ | 90° |
| Cell volume | 10591.2 ± 1.8 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300324 (current) | 2025-07-04 | cif/ Adding structures of 7134803, 7134804, 7134805 via cif-deposit CGI script. |
7134803.cif |
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Users of the data should acknowledge the original authors of the
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