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Information card for entry 4087491
Preview
| Coordinates | 4087491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H44 Cl4 N2 O Ru |
|---|---|
| Calculated formula | C33 H44 Cl4 N2 O Ru |
| Title of publication | Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups |
| Authors of publication | Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2858 |
| a | 15.843 ± 0.0005 Å |
| b | 8.3233 ± 0.0003 Å |
| c | 25.4115 ± 0.0008 Å |
| α | 90° |
| β | 100.476 ± 0.002° |
| γ | 90° |
| Cell volume | 3295.06 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.526 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236821 (current) | 2019-11-24 | cif/ Adding structures of 4087491, 4087492, 4087493, 4087494, 4087495, 4087496 via cif-deposit CGI script. |
4087491.cif |
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Users of the data should acknowledge the original authors of the
structural data.