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Information card for entry 4135214
Preview
| Coordinates | 4135214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26.5 H35 Cl Ni O3 P2 S |
|---|---|
| Calculated formula | C26.5 H35 Cl Ni O3 P2 S |
| Title of publication | Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0). |
| Authors of publication | Entz, Emily D.; Russell, John; Hooker, Leidy; Neufeldt, Sharon R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.9661 ± 0.0006 Å |
| b | 20.2493 ± 0.0011 Å |
| c | 12.9096 ± 0.0007 Å |
| α | 90° |
| β | 102.242 ± 0.002° |
| γ | 90° |
| Cell volume | 2801.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255718 (current) | 2020-08-29 | cif/ Adding structures of 4135214 via cif-deposit CGI script. |
4135214.cif |
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