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Information card for entry 7134805
Preview
| Coordinates | 7134805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53.25 H80.2 P2 Ru S2 |
|---|---|
| Calculated formula | C39 H46 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 | 10.0461 ± 0.0003 Å |
| b | 25.5274 ± 0.0008 Å |
| c | 17.2498 ± 0.0006 Å |
| α | 90° |
| β | 97.0994 ± 0.0012° |
| γ | 90° |
| Cell volume | 4389.8 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7134805.cif |
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Users of the data should acknowledge the original authors of the
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