Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126103
Preview
| Coordinates | 4126103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H11 F9 N2 Ni |
|---|---|
| Calculated formula | C19 H11 F9 N2 Ni |
| Title of publication | Oxidatively Induced C-H Activation at High Valent Nickel. |
| Authors of publication | Chong, Eugene; Kampf, Jeff W.; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 17 |
| Pages of publication | 6058 - 6061 |
| a | 15.88344 ± 0.00009 Å |
| b | 12.97082 ± 0.00011 Å |
| c | 8.60488 ± 0.00005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1772.79 ± 0.02 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197252 (current) | 2017-06-04 | cif/ Adding structures of 4126103 via cif-deposit CGI script. |
4126103.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.