Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064775
Preview
Coordinates | 4064775.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H34 Au2 P2 S2 |
---|---|
Calculated formula | C44 H34 Au2 P2 S2 |
SMILES | c1(sc(cc1)c1ccc(s1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Red-Shifts upon Metal Binding: A Di-Gold(I)-Substituted Bithiophene |
Authors of publication | Peay, Miya A.; Heckler, James E.; Deligonul, Nihal; Gray, Thomas G. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 18 |
Pages of publication | 5071 |
a | 17.453 ± 0.003 Å |
b | 13.06 ± 0.003 Å |
c | 16.282 ± 0.003 Å |
α | 90° |
β | 95.362 ± 0.003° |
γ | 90° |
Cell volume | 3695 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4064775.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.