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Information card for entry 7718872
Preview
| Coordinates | 7718872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.5 H48.5 Cl N2 O3.75 P2 Re |
|---|---|
| Calculated formula | C45 H47 Cl N2 O3.5 P2 Re |
| Title of publication | Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex |
| Authors of publication | Xu, Shuting; Zhang, ZhangYu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Feng-Jun; Fang, Xiaolong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 12.5495 ± 0.0002 Å |
| b | 15.2226 ± 0.0003 Å |
| c | 24.5566 ± 0.0002 Å |
| α | 75.137 ± 0.001° |
| β | 81.835 ± 0.001° |
| γ | 67.072 ± 0.002° |
| Cell volume | 4171.34 ± 0.13 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300063 (current) | 2025-06-13 | cif/ Adding structures of 7718872, 7718873, 7718874 via cif-deposit CGI script. |
7718872.cif |
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Users of the data should acknowledge the original authors of the
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