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Information card for entry 4127309
Preview
| Coordinates | 4127309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H49 Cl2 N3 Ru |
|---|---|
| Calculated formula | C39 H49 Cl2 N3 Ru |
| SMILES | Cl[Ru](Cl)(=C1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C)([n]1ccccc1)=Cc1ccccc1 |
| Title of publication | Examining the Effects of Monomer and Catalyst Structure on the Mechanism of Ruthenium-Catalyzed Ring-Opening Metathesis Polymerization |
| Authors of publication | Wolf, William J.; Lin, Tzu-Pin; Grubbs, Robert H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 10.3622 ± 0.0011 Å |
| b | 12.0606 ± 0.001 Å |
| c | 15.3918 ± 0.0014 Å |
| α | 93.849 ± 0.005° |
| β | 91.457 ± 0.008° |
| γ | 110.577 ± 0.01° |
| Cell volume | 1794.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219578 (current) | 2019-10-28 | cif/ Adding structures of 4127309 via cif-deposit CGI script. |
4127309.cif |
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