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Information card for entry 4130719
Preview
| Coordinates | 4130719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53.92 H70.81 Cl5.04 N O3 P Pd |
|---|---|
| Calculated formula | C53.924 H70.81 Cl5.038 N O3 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 | 10.6412 ± 0.0004 Å |
| b | 21.109 ± 0.0007 Å |
| c | 24.0776 ± 0.0008 Å |
| α | 90° |
| β | 98.404 ± 0.001° |
| γ | 90° |
| Cell volume | 5350.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241105 (current) | 2019-11-25 | cif/ Adding structures of 4130719 via cif-deposit CGI script. |
4130719.cif |
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Users of the data should acknowledge the original authors of the
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