Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227641
Preview
Coordinates | 2227641.cif |
---|---|
Structure factors | 2227641.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine- κ<i>N</i>^1^]bis[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)] |
---|---|
Formula | C24 H22 Ag2 F6 N6 O6 S4 |
Calculated formula | C24 H22 Ag2 F6 N6 O6 S4 |
SMILES | c1cccc2CSc3nc(cc[n]3[Ag][n]3ccccc3CSc3nc(cc[n]3[Ag][n]12)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Bis[μ-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine-κ<i>N</i>^1^]bis[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)] |
Authors of publication | Wang, Huan-Huan; Zhang, Chao-Yan; Cui, Yue; Gao, Qian; Xie, Ya-Bo |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | m1496 |
a | 8.9999 ± 0.0018 Å |
b | 9.1087 ± 0.0018 Å |
c | 10.937 ± 0.002 Å |
α | 75.07 ± 0.03° |
β | 88.59 ± 0.03° |
γ | 68.97 ± 0.03° |
Cell volume | 806.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2227641.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.