Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1100704
Preview
Coordinates | 1100704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 Ag2 Cl2 N4 O8 S2 |
---|---|
Calculated formula | C20 H22 Ag2 Cl2 N4 O8 S2 |
SMILES | [Ag]12[S](Cc3[n]([Ag]4[S](Cc5[n]1c(ccc5)C)Cc1[n]4cc[n]4[Ag][S](Cc5nc(ccc5)C)Cc14)c(ccc3)C)Cc1[n]2cc[n]2[Ag][S](Cc3nc(ccc3)C)Cc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands |
Authors of publication | Caradoc-Davies, Paula L.; Hanton, Lyall R. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2001 |
Journal issue | 12 |
Pages of publication | 1098 - 1099 |
a | 9.182 ± 0.002 Å |
b | 9.182 ± 0.002 Å |
c | 52.48 ± 0.018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3831.7 ± 1.9 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 7 |
Space group number | 179 |
Hermann-Mauguin space group symbol | P 65 2 2 |
Hall space group symbol | P 65 2 (0 0 1) |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
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/1100704.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.