Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2214505
Preview
Coordinates | 2214505.cif |
---|---|
Structure factors | 2214505.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-μ- 4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] |
---|---|
Formula | C10 H18 N2 O9 S Zn |
Calculated formula | C10 H8 N2 O9 S Zn |
SMILES | [Zn](OS(=O)(=O)[O-])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Zn](OS(=O)(=O)[O-])([OH2])([OH2])[OH2])cc2)cc1.O.O.O.O |
Title of publication | A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] |
Authors of publication | Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 8 |
Pages of publication | m2225 - m2226 |
a | 11.4275 ± 0.0003 Å |
b | 11.4275 Å |
c | 20.9322 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2367.27 ± 0.09 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1222 |
Weighted residual factors for all reflections included in the refinement | 0.1245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
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/2214505.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.