Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573473
Preview
| Coordinates | 1573473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 Cl2 N3 O2 Pd |
|---|---|
| Calculated formula | C11 H11 Cl2 N3 O2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[n]2c(C(=O)[N]1=c1n(C)cccc1C)coc2 |
| Title of publication | Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands. |
| Authors of publication | Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin |
| Journal of publication | Catalysis science & technology |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 867 - 877 |
| a | 19.6202 ± 0.0003 Å |
| b | 9.6407 ± 0.0002 Å |
| c | 14.9332 ± 0.0003 Å |
| α | 90° |
| β | 91.131 ± 0.002° |
| γ | 90° |
| Cell volume | 2824.1 ± 0.09 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| 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 |
|---|---|---|---|
| 297983 (current) | 2025-03-04 | cif/ Updating files of 1573473, 1573474, 1573475, 1573476 Original log message: Adding full bibliography for 1573473--1573476.cif. |
1573473.cif |
| 296928 | 2024-12-20 | cif/ Adding structures of 1573473, 1573474, 1573475, 1573476 via cif-deposit CGI script. |
1573473.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.