Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7044048
Preview
| Coordinates | 7044048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H42 N Ni P3 |
|---|---|
| Calculated formula | C21 H42 N Ni P3 |
| SMILES | [Ni]12([P](Cc3ccc(C[P]1(C(C)C)C(C)C)n23)(C(C)C)C(C)C)CP(C)C |
| Title of publication | Ni(II) Phosphine and Phosphide Complexes Supported by a PNP-Pyrrole Pincer Ligand |
| Authors of publication | Kessler, Julie A.; Iluc, Vlad M. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 7.6605 ± 0.0016 Å |
| b | 11.777 ± 0.002 Å |
| c | 27.694 ± 0.006 Å |
| α | 90° |
| β | 92.67 ± 0.003° |
| γ | 90° |
| Cell volume | 2495.8 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200000 (current) | 2017-08-30 | cif/ Adding structures of 7044048, 7044049, 7044050, 7044051, 7044052 via cif-deposit CGI script. |
7044048.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.