Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230701
Preview
Coordinates | 2230701.cif |
---|---|
Structure factors | 2230701.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)cobalt(II)]-μ~2~- 2,6-bis(pyridin-4-yl)-4,4'-bipyridine-κ^2^<i>N</i>^2^:<i>N</i>^6^] |
---|---|
Formula | C22 H20 Co N4 O6 |
Calculated formula | C22 H20 Co N4 O6 |
SMILES | [Co](OC=O)([OH2])(OC=O)([OH2])[n]1ccc(cc1)c1nc(cc(c1)c1ccncc1)c1cc[n](cc1)[Co](OC=O)(OC=O)([OH2])([OH2])[n]1ccc(cc1)c1nc(c2ccncc2)cc(c1)c1ccncc1 |
Title of publication | <i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)cobalt(II)]-μ~2~-2,6-bis(pyridin-4-yl)-4,4'-bipyridine-κ^2^<i>N</i>^2^:<i>N</i>^6^] |
Authors of publication | Ma, De-Yun; Sun, De-En; Li, Guo-Qing |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m913 |
a | 24.412 ± 0.005 Å |
b | 11.073 ± 0.002 Å |
c | 7.4117 ± 0.0015 Å |
α | 90° |
β | 91.28 ± 0.03° |
γ | 90° |
Cell volume | 2003 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
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/2230701.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.