Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070015
Preview
Coordinates | 4070015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 N Se2 |
---|---|
Calculated formula | C19 H17 N Se2 |
SMILES | [Se](c1ccccc1)Cc1nc(C[Se]c2ccccc2)ccc1 |
Title of publication | Palladium(II) Complexes of the First Pincer (Se,N,Se) Ligand, 2,6-Bis((phenylseleno)methyl)pyridine (L): Solvent-Dependent Formation of [PdCl(L)]Cl and Na[PdCl(L)][PdCl4] and High Catalytic Activity for the Heck Reaction |
Authors of publication | Das, Dipanwita; Rao, G. K.; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 20 |
Pages of publication | 6054 |
a | 9.408 ± 0.004 Å |
b | 9.707 ± 0.003 Å |
c | 10.528 ± 0.005 Å |
α | 102.668 ± 0.007° |
β | 114.299 ± 0.006° |
γ | 97.279 ± 0.007° |
Cell volume | 829.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1402 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4070015.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.