Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064995
Preview
Coordinates | 4064995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H48 Cl2 N4 O3 Pd S |
---|---|
Calculated formula | C33 H48 Cl2 N4 O3 Pd S |
SMILES | C(#[N]C(C)(C)C)[Pd](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1ccccc1S(=O)(=O)[O-])(C#[N]C(C)(C)C)C.C(Cl)Cl |
Title of publication | Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand |
Authors of publication | Zhou, Xiaoyuan; Jordan, Richard F. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4632 |
a | 10.437 ± 0.003 Å |
b | 13.551 ± 0.004 Å |
c | 14.524 ± 0.005 Å |
α | 107.881 ± 0.005° |
β | 90.359 ± 0.006° |
γ | 106.644 ± 0.005° |
Cell volume | 1863 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
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/4064995.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.