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Information card for entry 4517150
Preview
| Coordinates | 4517150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru3 |
|---|---|
| Formula | C44 H71 Cl2 F3 N3 O4 P3 Ru3 S |
| Calculated formula | C44.001 H71 Cl2 F3.003 N3 O4.003 P3 Ru3 S1.001 |
| Title of publication | Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols |
| Authors of publication | Cherepakhin, Valeriy; Williams, Travis J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 56 |
| a | 13.4 ± 0.005 Å |
| b | 20.266 ± 0.008 Å |
| c | 19.218 ± 0.008 Å |
| α | 90° |
| β | 97.812 ± 0.006° |
| γ | 90° |
| Cell volume | 5170 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243789 (current) | 2019-11-28 | cif/ Adding structures of 4517150 via cif-deposit CGI script. |
4517150.cif |
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