Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2204797
Preview
Coordinates | 2204797.cif |
---|---|
Structure factors | 2204797.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[diaquabis(3-hydroxypyridine-κN)cobalt(II)]-μ- (4-carboxylatophenoxyacetato-κ^2^O:O'] monohydrate] |
---|---|
Formula | C19 H22 Co N2 O10 |
Calculated formula | C19 H22 Co N2 O10 |
SMILES | [Co]([n]1cccc(O)c1)([n]1cccc(O)c1)(OC(=O)COc1ccc(cc1)C(=O)[O-])([OH2])([OH2])OC(=O)c1ccc(OCC(=O)O[Co]([n]2cccc(O)c2)([n]2cccc(O)c2)([OH2])[OH2])cc1.O.O |
Title of publication | <i>catena</i>-Poly[[[diaquabis(3-hydroxypyridine-κ<i>N</i>)cobalt(II)]-μ-(4-carboxylatophenoxy)acetato-κ^2^<i>O</i>:<i>O</i>'] monohydrate] |
Authors of publication | Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1830 - m1832 |
a | 7.559 ± 0.0015 Å |
b | 10.862 ± 0.002 Å |
c | 13.144 ± 0.003 Å |
α | 72.12 ± 0.03° |
β | 80.82 ± 0.03° |
γ | 84.33 ± 0.03° |
Cell volume | 1012.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.043 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/2204797.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.