Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342851
Preview
| Coordinates | 4342851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H49 Cl2 F6 N2 O P2 Pd S |
|---|---|
| Calculated formula | C46 H49 Cl2 F6 N2 O P2 Pd S |
| SMILES | [Pd]12(N(c3c(O2)c(C(C)(C)C)cc(c3)C(C)(C)C)c2c(SCCc3[n]1cccc3)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl |
| Title of publication | Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3. |
| Authors of publication | Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 11 |
| Pages of publication | 5182 - 5194 |
| a | 21.153 ± 0.004 Å |
| b | 11.155 ± 0.002 Å |
| c | 20.546 ± 0.004 Å |
| α | 90° |
| β | 105.84 ± 0.003° |
| γ | 90° |
| Cell volume | 4664 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4342851.cif |
| 138164 | 2015-06-05 | cif/ Updating files of 4342848, 4342849, 4342850, 4342851 Original log message: Adding full bibliography for 4342848--4342851.cif. |
4342851.cif |
| 136528 | 2015-05-15 | cif/ Adding structures of 4342848, 4342849, 4342850, 4342851 via cif-deposit CGI script. |
4342851.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.