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Information card for entry 4519097
Preview
| Coordinates | 4519097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H30 Cl Co F3 N5 O4 S |
|---|---|
| Calculated formula | C21 H30 Cl Co F3 N5 O4 S |
| Title of publication | Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O |
| Authors of publication | Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 13696 - 13705 |
| a | 16.228 ± 0.002 Å |
| b | 16.9453 ± 0.0019 Å |
| c | 9.6916 ± 0.0012 Å |
| α | 90° |
| β | 92.313 ± 0.01° |
| γ | 90° |
| Cell volume | 2662.9 ± 0.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 169.97 K |
| Number of distinct elements | 8 |
| 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 | 0.1673 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2199 |
| Weighted residual factors for all reflections included in the refinement | 0.263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270236 (current) | 2021-11-03 | cif/ Adding structures of 4519097 via cif-deposit CGI script. |
4519097.cif |
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