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Information card for entry 1567424
Preview
| Coordinates | 1567424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H81 Br Cl12 N4 O2 P2 Ru |
|---|---|
| Calculated formula | C66 H81 Br Cl12 N4 O2 P2 Ru |
| Title of publication | Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance |
| Authors of publication | Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 18 |
| Pages of publication | 5597 - 5603 |
| a | 11.3315 ± 0.0007 Å |
| b | 12.2669 ± 0.0008 Å |
| c | 14.2038 ± 0.001 Å |
| α | 77.65 ± 0.003° |
| β | 88.094 ± 0.003° |
| γ | 75.63 ± 0.002° |
| Cell volume | 1867.9 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278393 (current) | 2022-10-07 | cif/ Updating files of 1567424 Original log message: Adding full bibliography for 1567424.cif. |
1567424.cif |
| 277052 | 2022-08-04 | cif/ Adding structures of 1567424 via cif-deposit CGI script. |
1567424.cif |
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Users of the data should acknowledge the original authors of the
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