Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083783
Preview
Coordinates | 4083783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Br2 Cl3 N3 Pd |
---|---|
Calculated formula | C17 H18 Br2 Cl3 N3 Pd |
SMILES | [Pd](Br)(Br)([n]1ccccc1)=C1N2N(CCCC2)c2ccccc12.ClC(Cl)Cl |
Title of publication | Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes |
Authors of publication | Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2014 |
Pages of publication | 140627160434001 |
a | 20.2789 ± 0.0006 Å |
b | 9.4519 ± 0.0003 Å |
c | 21.9379 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4204.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections included in the refinement | 0.0513 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4083783.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.