Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2207811
Preview
Coordinates | 2207811.cif |
---|---|
Structure factors | 2207811.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato] |
---|---|
Formula | C18 H14 Cu N4 O5 S3 |
Calculated formula | C18 H14 Cu N4 O5 S3 |
SMILES | [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)CSc1sc(SCC(=O)[O-])nn1)([OH2])OC(=O)CSc1sc(SCC(=O)O[Cu]2([OH2])[n]3cccc4ccc5ccc[n]2c5c34)nn1 |
Title of publication | <i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato] |
Authors of publication | Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Gao, Jin-Sheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 1 |
Pages of publication | m39 - m41 |
a | 7.226 ± 0.001 Å |
b | 15.23 ± 0.003 Å |
c | 18.222 ± 0.004 Å |
α | 90° |
β | 92.19 ± 0.03° |
γ | 90° |
Cell volume | 2003.9 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/2207811.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.