Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065448
Preview
Coordinates | 4065448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H45 F3 N2 O5 P2 Pd2 S |
---|---|
Calculated formula | C31 H45 F3 N2 O5 P2 Pd2 S |
SMILES | C(C)(C)[P]1(C(C)C)Oc2c3c(ccc2)C=[N]2CCCC[N]4=Cc5c6[Pd]4([P](C(C)C)(C(C)C)Oc6ccc5)[H][Pd]132.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Binuclear Palladium Complexes Supported by Bridged Pincer Ligands |
Authors of publication | Herbert, David E.; Ozerov, Oleg V. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 24 |
Pages of publication | 6641 |
a | 20.882 ± 0.005 Å |
b | 13.676 ± 0.003 Å |
c | 25.112 ± 0.006 Å |
α | 90° |
β | 102.349 ± 0.003° |
γ | 90° |
Cell volume | 7006 ± 3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
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 | 0.077 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4065448.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.