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Information card for entry 4514011
Preview
| Coordinates | 4514011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37.5 H47 Cl N3 O Re |
|---|---|
| Calculated formula | C37.5 H47 Cl N3 O Re |
| Title of publication | Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs |
| Authors of publication | Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 1170 |
| a | 15.6648 ± 0.0007 Å |
| b | 13.4862 ± 0.0005 Å |
| c | 17.082 ± 0.0008 Å |
| α | 90° |
| β | 105.914 ± 0.002° |
| γ | 90° |
| Cell volume | 3470.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.02 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0203 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Weighted residual factors for all reflections included in the refinement | 0.0458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191226 (current) | 2017-02-03 | cif/ Adding structures of 4514011 via cif-deposit CGI script. |
4514011.cif |
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