Information card for entry 7160920
| Formula |
C18 H20 Cl2 I2 N2 Ru |
| Calculated formula |
C18 H20 Cl2 I2 N2 Ru |
| Title of publication |
N-Heterocyclic Carbene Ruthenium Complexes Synthesized by Hydrogen-Bonding-Assisted Strategy for Dehydrogenative Rearrangement of Esters |
| Authors of publication |
Gong, Zhi-Yuan; Tao, Sheng; Li, Xiao-Bin; Wang, Tao; Chen, Fei; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Liu, Ning |
| Journal of publication |
Organic & Biomolecular Chemistry |
| Year of publication |
2025 |
| a |
8.3565 ± 0.0002 Å |
| b |
11.5771 ± 0.0003 Å |
| c |
11.7765 ± 0.0003 Å |
| α |
74.775 ± 0.001° |
| β |
71.853 ± 0.001° |
| γ |
83.642 ± 0.001° |
| Cell volume |
1044.12 ± 0.05 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 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 |
0.0456 |
| Residual factor for significantly intense reflections |
0.0433 |
| Weighted residual factors for significantly intense reflections |
0.1203 |
| Weighted residual factors for all reflections included in the refinement |
0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7160920.html
