Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230470
Preview
| Coordinates | 7230470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(2-benzyl-3,5-diphenyl-2,3-dihydro-1H-pyrazol-1-yl)palladium(IV) chloride |
|---|---|
| Formula | C22 H18 Cl N2 Pd0.5 |
| Calculated formula | C22 H18 Cl N2 Pd0.5 |
| Title of publication | Synthesis, characterization and evaluation of bulky bis(pyrazolyl)palladium complexes in Suzuki‒Miyaura cross-coupling reactions |
| Authors of publication | Ocansey, Edward; Darkwa, James; Makhubela, Banothile C. E. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 25 |
| Pages of publication | 13826 |
| a | 6.7767 ± 0.0006 Å |
| b | 10.2586 ± 0.0009 Å |
| c | 13.5319 ± 0.0013 Å |
| α | 102.123 ± 0.002° |
| β | 98.442 ± 0.002° |
| γ | 94.97 ± 0.002° |
| Cell volume | 903.05 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207330 (current) | 2018-04-13 | cif/ Adding structures of 7230470 via cif-deposit CGI script. |
7230470.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.