Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2217665
Preview
Coordinates | 2217665.cif |
---|---|
Structure factors | 2217665.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[tetraaqua-μ~3~-pyridine-3,5-dicarboxylato-strontium(II)] |
---|---|
Formula | C7 H11 N O8 Sr |
Calculated formula | C7 H11 N O8 Sr |
SMILES | [Sr]12([OH2])([OH2])([OH2])([OH2])O=C(c3cncc(c3)C(=O)[O-])[O]1[Sr]13([OH2])([OH2])([OH2])([OH2])[O]2=C(c2cncc(c2)C(=O)[O-])[O]1[Sr]1([OH2])([OH2])([OH2])([OH2])O=C(c2cncc(c2)C(=O)[O-])[O]13 |
Title of publication | Poly[tetraaqua-μ~3~-pyridine-3,5-dicarboxylato-strontium(II)] |
Authors of publication | Aghabozorg, Hossein; Nemati, Andya; Derikvand, Zohreh; Ghadermazi, Mohammad; Daneshvar, Shirin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 2 |
Pages of publication | m376 - m376 |
a | 7.066 ± 0.002 Å |
b | 8.308 ± 0.003 Å |
c | 10.368 ± 0.003 Å |
α | 69.405 ± 0.006° |
β | 72.144 ± 0.006° |
γ | 75.944 ± 0.006° |
Cell volume | 536 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0334 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/2217665.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.