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Information card for entry 4127298
Preview
| Coordinates | 4127298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (η5-C5Me5)4Rh5H7.0.5pentane |
|---|---|
| Formula | C42.5 H73 Rh5 |
| Calculated formula | C42.5005 H73.001 Rh5 |
| Title of publication | Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters. |
| Authors of publication | Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| a | 11.8773 ± 0.0005 Å |
| b | 13.7328 ± 0.0006 Å |
| c | 15.6523 ± 0.0007 Å |
| α | 92.034 ± 0.002° |
| β | 111.67 ± 0.002° |
| γ | 111.675 ± 0.002° |
| Cell volume | 2160.73 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219566 (current) | 2019-10-28 | cif/ Adding structures of 4127298 via cif-deposit CGI script. |
4127298.cif |
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