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Information card for entry 4519343
Preview
| Coordinates | 4519343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H52 Br Co N2 P2 |
|---|---|
| Calculated formula | C55 H52 Br Co N2 P2 |
| Title of publication | Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex |
| Authors of publication | Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko |
| Journal of publication | ACS Catalysis |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 2320 - 2329 |
| a | 10.276 ± 0.002 Å |
| b | 26.264 ± 0.005 Å |
| c | 17.399 ± 0.004 Å |
| α | 90° |
| β | 103.191 ± 0.005° |
| γ | 90° |
| Cell volume | 4571.9 ± 1.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1115 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.2048 |
| Weighted residual factors for all reflections included in the refinement | 0.2226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.309 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273250 (current) | 2022-03-03 | cif/ Adding structures of 4519343 via cif-deposit CGI script. |
4519343.cif |
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