Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2213400
Preview
Coordinates | 2213400.cif |
---|---|
Structure factors | 2213400.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[μ-5,5'-di-2-pyridyl-1,1'-(p- phenylenedimethylene)bis(1H-tetrazole)]-[chloridocopper(II)]-di-μ-chlorido- [chloridocopper(II)] acetonitrile solvate] |
---|---|
Formula | C24 H22 Cl4 Cu2 N12 |
Calculated formula | C24 H22 Cl4 Cu2 N12 |
SMILES | [Cu]1([n]2c(c3[n]1nnn3Cc1ccc(Cn3nnn4[Cu]([n]5c(c34)cccc5)(Cl)Cl)cc1)cccc2)(Cl)Cl.N#CC.N#CC |
Title of publication | <i>catena</i>-Poly[[[μ-5,5'-di-2-pyridyl-1,1'-(<i>p</i>-phenylenedimethylene)bis(1<i>H</i>-tetrazole)]-[chloridocopper(II)]-di-μ-chlorido-[chloridocopper(II)]] acetonitrile solvate] |
Authors of publication | Lei Li; Tong-Liang Hu; Xian-He Bu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1393 - m1394 |
a | 7.7541 ± 0.0016 Å |
b | 17.086 ± 0.003 Å |
c | 11.383 ± 0.002 Å |
α | 90° |
β | 98.72 ± 0.03° |
γ | 90° |
Cell volume | 1490.7 ± 0.5 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0812 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/2213400.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.