Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7001528
Preview
Coordinates | 7001528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H34 Au2 F6 N2 O10 P2 S2 |
---|---|
Calculated formula | C40 H34 Au2 F6 N2 O10 P2 S2 |
SMILES | [Au]([P](CC[P]([Au][n]1ccc(cc1)C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(=O)O.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-] |
Title of publication | Isolation of cationic digold-frame with free carboxylic acid pendants |
Authors of publication | Teo, Peili; Wang, Jing; Koh, L. L.; Hor, T. S. Andy |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 25 |
Pages of publication | 5009 - 5014 |
a | 11.534 ± 0.0008 Å |
b | 14.5704 ± 0.0011 Å |
c | 15.18 ± 0.0011 Å |
α | 99.026 ± 0.001° |
β | 99.81 ± 0.001° |
γ | 111.118 ± 0.001° |
Cell volume | 2277.9 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0591 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.1207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7001528.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.