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Information card for entry 4348403
Preview
| Coordinates | 4348403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H26 B Br F4 N Ni O P |
|---|---|
| Calculated formula | C19 H26 B Br F4 N Ni O P |
| Title of publication | Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand. |
| Authors of publication | Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 16 |
| Pages of publication | 8041 - 8047 |
| a | 7.8324 ± 0.0005 Å |
| b | 12.702 ± 0.0008 Å |
| c | 22.4682 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2235.3 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232902 (current) | 2019-11-23 | cif/ Adding structures of 4348403 via cif-deposit CGI script. |
4348403.cif |
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