Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2017804
Preview
Coordinates | 2017804.cif |
---|---|
Structure factors | 2017804.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate |
---|---|
Formula | C21 H18 Ag F3 N6 O3 S |
Calculated formula | C21 H18 Ag F3 N6 O3 S |
SMILES | [Ag]12([n]3c(cccc3)Nc3[n]1cccc3)[n]1c(cccc1)Nc1[n]2cccc1.S(=O)(=O)(C(F)(F)F)[O-] |
Title of publication | Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)silver(I) trifluoromethanesulfonate: polar arrangement of trifluoromethanesulfonate anions in a pseudo-centrosymmetric framework of coordination cations |
Authors of publication | Żyto, Magdalena; Wicher, Barbara; Gdaniec, Maria |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | m355 - m357 |
a | 15.1215 ± 0.0004 Å |
b | 13.2206 ± 0.0003 Å |
c | 11.9113 ± 0.0003 Å |
α | 90° |
β | 107.527 ± 0.003° |
γ | 90° |
Cell volume | 2270.7 ± 0.1 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0488 |
Weighted residual factors for all reflections included in the refinement | 0.0543 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/2017804.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.