Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081016
Preview
Coordinates | 4081016.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ICyAuPyrPF6 |
---|---|
Formula | C23 H35 Au F6 N3 O P |
Calculated formula | C23 H35 Au F6 N3 O P |
SMILES | [Au](=C1N(C=CN1C1CCCCC1)C1CCCCC1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C |
Title of publication | Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes |
Authors of publication | Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4153 |
a | 8.763 ± 0.005 Å |
b | 14.889 ± 0.005 Å |
c | 20.424 ± 0.005 Å |
α | 91.937 ± 0.005° |
β | 91.624 ± 0.005° |
γ | 95.886 ± 0.005° |
Cell volume | 2647.8 ± 1.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 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/4081016.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.