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Information card for entry 4515578
Preview
| Coordinates | 4515578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H125 N3 O10 P6 Ru3 |
|---|---|
| Calculated formula | C51 H125 N3 O10 P6 Ru3 |
| Title of publication | Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species |
| Authors of publication | Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 4719 |
| a | 15.1793 ± 0.0005 Å |
| b | 16.5074 ± 0.0008 Å |
| c | 16.664 ± 0.0006 Å |
| α | 88.609 ± 0.002° |
| β | 71.881 ± 0.002° |
| γ | 62.825 ± 0.001° |
| Cell volume | 3496 ± 0.2 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0221 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225729 (current) | 2019-11-10 | cif/ Adding structures of 4515578 via cif-deposit CGI script. |
4515578.cif |
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