Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7017121
Preview
Coordinates | 7017121.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H38 N2 O6 P2 Pd S2 |
---|---|
Calculated formula | C50 H38 N2 O6 P2 Pd S2 |
SMILES | [Pd](N1C(=O)c2ccccc2S1(=O)=O)(N1C(=O)c2ccccc2S1(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors? |
Authors of publication | Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 47 |
Pages of publication | 12676 - 12689 |
a | 13.614 ± 0.0014 Å |
b | 13.2162 ± 0.0013 Å |
c | 24.102 ± 0.002 Å |
α | 90° |
β | 96.788 ± 0.002° |
γ | 90° |
Cell volume | 4306.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7017121.html
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.