Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1563595
Preview
| Coordinates | 1563595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H51 N Ni P2 |
|---|---|
| Calculated formula | C36 H51 N Ni P2 |
| SMILES | [Ni]12([P](c3c4N2c2c(cc(cc2[P]1(C(C)C)C(C)C)C)C(c4cc(c3)C)(C)C)(C(C)C)C(C)C)c1ccccc1C |
| Title of publication | Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds |
| Authors of publication | Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.849 ± 0.003 Å |
| b | 16.888 ± 0.005 Å |
| c | 18.019 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3301.4 ± 1.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266584 (current) | 2021-06-20 | cif/ Adding structures of 1563594, 1563595, 1563596, 1563597, 1563598, 1563599, 1563600, 1563601, 1563602 via cif-deposit CGI script. |
1563595.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.