Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574949
Preview
| Coordinates | 1574949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H48 Cl2 N2 P2 Ru |
|---|---|
| Calculated formula | C28 H48 Cl2 N2 P2 Ru |
| Title of publication | Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene |
| Authors of publication | Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L. J. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.0703 ± 0.0003 Å |
| b | 22.3344 ± 0.0005 Å |
| c | 16.3747 ± 0.0004 Å |
| α | 90° |
| β | 98.02 ± 0.001° |
| γ | 90° |
| Cell volume | 6181.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0317 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300237 (current) | 2025-06-27 | cif/ Adding structures of 1574948, 1574949, 1574950 via cif-deposit CGI script. |
1574949.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.