Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081918
Preview
Coordinates | 4081918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H35 Br2 N5 O Pd |
---|---|
Calculated formula | C30 H35 Br2 N5 O Pd |
SMILES | [Pd](Br)(Br)(c1n(n[n+](C)c1c1ccc(OC)cc1)Cc1ccccc1)=C1N(C(C)C)c2ccccc2N1C(C)C |
Title of publication | Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity |
Authors of publication | Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 23 |
Pages of publication | 7065 |
a | 10.4702 ± 0.0005 Å |
b | 23.9939 ± 0.0012 Å |
c | 13.0959 ± 0.0006 Å |
α | 90° |
β | 111.302 ± 0.002° |
γ | 90° |
Cell volume | 3065.2 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4081918.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.