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Information card for entry 4130400
Preview
| Coordinates | 4130400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35.25 H33.75 Cl2 N4.75 O3.5 Ru |
|---|---|
| Calculated formula | C35.25 H33.75 Cl2 N4.75 O3.5 Ru |
| Title of publication | Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex. |
| Authors of publication | Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 18 |
| Pages of publication | 5817 - 5820 |
| a | 24.8814 ± 0.0006 Å |
| b | 20.0338 ± 0.0005 Å |
| c | 29.5126 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14711.1 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240841 (current) | 2019-11-25 | cif/ Adding structures of 4130400 via cif-deposit CGI script. |
4130400.cif |
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