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Information card for entry 4516698
Preview
| Coordinates | 4516698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C184 H164 N24 P4 Ru4 |
|---|---|
| Calculated formula | C184 H164 N24 P4 Ru4 |
| Title of publication | The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study |
| Authors of publication | Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4799 |
| a | 12.9692 ± 0.0002 Å |
| b | 16.8857 ± 0.0003 Å |
| c | 17.268 ± 0.0012 Å |
| α | 90° |
| β | 90.769 ± 0.006° |
| γ | 90° |
| Cell volume | 3781.2 ± 0.3 Å3 |
| Cell temperature | 85 K |
| Ambient diffraction temperature | 85 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.215 |
| Weighted residual factors for all reflections included in the refinement | 0.2205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239466 (current) | 2019-11-24 | cif/ Adding structures of 4516697, 4516698 via cif-deposit CGI script. |
4516698.cif |
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