Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081020
Preview
| Coordinates | 4081020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ICyAuCl2PyrPF6 |
|---|---|
| Formula | C20 H29 Au Cl2 F6 N3 P |
| Calculated formula | C20 H29 Au Cl2 F6 N3 P |
| SMILES | C1(=[Au](Cl)(Cl)[n]2ccccc2)N(C=CN1C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-] |
| 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 | 10.5603 ± 0.0003 Å |
| b | 15.4343 ± 0.0004 Å |
| c | 17.2668 ± 0.0005 Å |
| α | 90° |
| β | 116.777 ± 0.002° |
| γ | 90° |
| Cell volume | 2512.54 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0699 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178699 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10. |
4081020.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4081020.cif |
| 87970 | 2013-08-27 | cif/ Adding structures of 4081014, 4081015, 4081016, 4081017, 4081018, 4081019, 4081020, 4081021 via cif-deposit CGI script. |
4081020.cif |
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.