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Information card for entry 4128085
Preview
| Coordinates | 4128085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H64 F3 Ni O2 P2 |
|---|---|
| Calculated formula | C43 H64 F3 Ni O2 P2 |
| Title of publication | Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction. |
| Authors of publication | Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 4 |
| Pages of publication | 1788 - 1796 |
| a | 11.1268 ± 0.0006 Å |
| b | 24.4126 ± 0.0014 Å |
| c | 16.2109 ± 0.0009 Å |
| α | 90° |
| β | 109.568 ± 0.0009° |
| γ | 90° |
| Cell volume | 4149.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221216 (current) | 2019-11-03 | cif/ Adding structures of 4128085 via cif-deposit CGI script. |
4128085.cif |
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