Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4122472
Preview
Coordinates | 4122472.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 Au F6 N6 O6.5 S2 |
---|---|
Calculated formula | C23 H28 Au F6 N6 O6.5 S2 |
SMILES | [Au]([n]1ccc(N(C)C)cc1)(O[Au]([n]1ccc(N(C)C)cc1)([n]1ccc(cc1)N(C)C)[n]1ccccc1)([n]1ccc(cc1)N(C)C)[n]1ccccc1.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(#N)C.C(#N)C |
Title of publication | Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+). |
Authors of publication | Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 35 |
Pages of publication | 12415 - 12421 |
a | 16.682 ± 0.003 Å |
b | 20.298 ± 0.004 Å |
c | 20.273 ± 0.004 Å |
α | 90° |
β | 106.09 ± 0.03° |
γ | 90° |
Cell volume | 6596 ± 2 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 | 0.0696 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1379 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
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/4122472.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.