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Information card for entry 4518521
Preview
| Coordinates | 4518521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.5 H21 Cr0.5 N2 O2.5 P0.5 |
|---|---|
| Calculated formula | C21.5 H21 Cr0.5 N2 O2.5 P0.5 |
| Title of publication | A Highly Reactive Chromium(V)‒Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions |
| Authors of publication | Hong, Young Hyun; Jang, Yuri; Ezhov, Roman; Seo, Mi Sook; Lee, Yong-Min; Pandey, Bhawana; Hong, Seungwoo; Pushkar, Yulia; Fukuzumi, Shunichi; Nam, Wonwoo |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 2889 - 2901 |
| a | 8.2209 ± 0.0013 Å |
| b | 31.649 ± 0.005 Å |
| c | 15.344 ± 0.002 Å |
| α | 90° |
| β | 102.728 ± 0.002° |
| γ | 90° |
| Cell volume | 3894.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1302 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.2092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8235 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262406 (current) | 2021-03-03 | cif/ Adding structures of 4518521 via cif-deposit CGI script. |
4518521.cif |
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Users of the data should acknowledge the original authors of the
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