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Information card for entry 1574950
Preview
| Coordinates | 1574950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H47 N2 P Ru Si2 |
|---|---|
| Calculated formula | C26 H47 N2 P Ru Si2 |
| 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 | 13.9298 ± 0.0004 Å |
| b | 16.2626 ± 0.0004 Å |
| c | 13.8275 ± 0.0004 Å |
| α | 90° |
| β | 112.534 ± 0.002° |
| γ | 90° |
| Cell volume | 2893.26 ± 0.14 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 | 0.0217 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
1574950.cif |
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Users of the data should acknowledge the original authors of the
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