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Information card for entry 1564637
Preview
| Coordinates | 1564637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H61 F9 P2 Pd Si |
|---|---|
| Calculated formula | C47 H61 F8.9997 P2 Pd Si |
| Title of publication | The mechanism of oxidative addition of Pd(0) to Si‒H bonds: electronic effects, reaction mechanism, and hydrosilylation |
| Authors of publication | Hurst, Michael R.; Zakharov, Lev N.; Cook, Amanda K. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 18.3966 ± 0.0006 Å |
| b | 21.9565 ± 0.0007 Å |
| c | 22.9636 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9275.6 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269133 (current) | 2021-09-15 | cif/ Adding structures of 1564637 via cif-deposit CGI script. |
1564637.cif |
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