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Information card for entry 7118217
Preview
| Coordinates | 7118217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H56 N3 P2 Rh |
|---|---|
| Calculated formula | C60 H56 N3 P2 Rh |
| Title of publication | Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift. |
| Authors of publication | Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 3 |
| Pages of publication | 586 - 589 |
| a | 13.907 ± 0.007 Å |
| b | 27.103 ± 0.013 Å |
| c | 16.593 ± 0.009 Å |
| α | 90° |
| β | 112.133 ± 0.011° |
| γ | 90° |
| Cell volume | 5793 ± 5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| 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 | 0.1645 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118217.cif |
| 171856 | 2016-01-01 | cif/ Adding structures of 7118213, 7118214, 7118215, 7118216, 7118217 via cif-deposit CGI script. |
7118217.cif |
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Users of the data should acknowledge the original authors of the
structural data.