Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117239
Preview
Coordinates | 7117239.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H64 Au3 F6 N2 Sb |
---|---|
Calculated formula | C66 H64 Au3 F6 N2 Sb |
SMILES | [Au]12([C](#[C]1c1ccccc1)[Au]13c4c(c5cccc(c6c1cc(cc6)C(C)(C)C)[n]35)ccc(c4)C(C)(C)C)[C](#[C]2c1ccccc1)[Au]12c3c(c4cccc(c5c1cc(cc5)C(C)(C)C)[n]24)ccc(c3)C(C)(C)C.F[Sb](F)(F)(F)([F-])F |
Title of publication | Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis |
Authors of publication | Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 9702 |
a | 16.33309 ± 0.00017 Å |
b | 18.64797 ± 0.00016 Å |
c | 18.79354 ± 0.00018 Å |
α | 90° |
β | 91.0581 ± 0.0009° |
γ | 90° |
Cell volume | 5723.14 ± 0.09 Å3 |
Cell temperature | 110.05 ± 0.1 K |
Ambient diffraction temperature | 110.05 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0371 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
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/7117239.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.