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Information card for entry 4088613
Preview
| Coordinates | 4088613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H31 N3 O4 Ru |
|---|---|
| Calculated formula | C24 H30 N3 O4 Ru |
| SMILES | [Ru]123([O]=C(O1)C)([N]1=C(OC[C@@H]1C(C)C)c1c2c(c(cc1C)C)CN1C=3N(C=C1)C(C)C)C#[O] |
| Title of publication | Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction |
| Authors of publication | Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1885 |
| a | 9.367 ± 0.004 Å |
| b | 10.864 ± 0.004 Å |
| c | 12.295 ± 0.005 Å |
| α | 90° |
| β | 105.106 ± 0.005° |
| γ | 90° |
| Cell volume | 1207.9 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for all reflections included in the refinement | 0.0549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237701 (current) | 2019-11-24 | cif/ Adding structures of 4088610, 4088611, 4088612, 4088613 via cif-deposit CGI script. |
4088613.cif |
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Users of the data should acknowledge the original authors of the
structural data.