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Information card for entry 1551197
Preview
| Coordinates | 1551197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Cl F3 N2 Ru |
|---|---|
| Calculated formula | C20 H20 Cl F3 N2 Ru |
| Title of publication | Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. |
| Authors of publication | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan |
| Journal of publication | Faraday Discussions |
| Year of publication | 2019 |
| a | 7.9136 ± 0.0017 Å |
| b | 10.349 ± 0.002 Å |
| c | 11.554 ± 0.003 Å |
| α | 96.208 ± 0.004° |
| β | 95.953 ± 0.004° |
| γ | 91.935 ± 0.004° |
| Cell volume | 934.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215676 (current) | 2019-06-04 | cif/ Adding structures of 1551195, 1551196, 1551197, 1551198, 1551199 via cif-deposit CGI script. |
1551197.cif |
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Users of the data should acknowledge the original authors of the
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