Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2017939
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2017939.cif |
---|---|
Structure factors | 2017939.hkl |
Original IUCr paper | HTML |
Chemical name | poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato- κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)] |
---|---|
Formula | C6 H4 Ag N3 O3 |
Calculated formula | C6 H4 Ag N3 O3 |
SMILES | [Ag]1[n]2c(c(ncc2)C(=O)N)C(O[Ag]2[n]3c(c(ncc3)C(=O)N)C(=O)O1)=[O][Ag]1[n]3c(c(ncc3)C(=O)N)C(O[Ag][n]3c(c(ncc3)C(=O)N)C(=[O]2)O1)=[O] |
Title of publication | The coordination polymer poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)] |
Authors of publication | Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.; Öhrström, Lars |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m1 - m4 |
a | 5.054 ± 0.0002 Å |
b | 6.2507 ± 0.0002 Å |
c | 10.9778 ± 0.0002 Å |
α | 85.57 ± 0.001° |
β | 88.638 ± 0.001° |
γ | 84.509 ± 0.002° |
Cell volume | 344.131 ± 0.019 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0787 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/2017939.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.