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Information card for entry 4130720
Preview
| Coordinates | 4130720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61.55 H82.84 N O5 P Pd |
|---|---|
| Calculated formula | C61.5493 H82.8583 N O5 P Pd |
| Title of publication | Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination. |
| Authors of publication | Arrechea, Pedro Luis; Buchwald, Stephen L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 38 |
| Pages of publication | 12486 - 12493 |
| a | 17.8561 ± 0.0014 Å |
| b | 18.1897 ± 0.0014 Å |
| c | 19.0033 ± 0.0014 Å |
| α | 72.848 ± 0.001° |
| β | 79.98 ± 0.001° |
| γ | 77.541 ± 0.001° |
| Cell volume | 5718.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241106 (current) | 2019-11-25 | cif/ Adding structures of 4130720 via cif-deposit CGI script. |
4130720.cif |
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Users of the data should acknowledge the original authors of the
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