Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020213
Preview
| Coordinates | 2020213.cif |
|---|---|
| Structure factors | 2020213.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-)(μ~4~-homophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(pyridine-κ<i>N</i>)dicopper(II)] |
|---|---|
| Formula | C19 H16 Cu2 N8 O4 |
| Calculated formula | C19 H16 Cu2 N8 O4 |
| SMILES | [Cu]123([O]=C4O[Cu]([n]5ccccc5)([n]5ccccc5)([N]1=N#N)[O]=C(O2)Cc1ccccc1C1=[O][Cu]2(OC(=[O][Cu](O1)([N]2=N#N)N=N#N)Cc1ccccc41)([n]1ccccc1)[n]1ccccc1)[N](=N#N)[Cu]12([O]=C4O[Cu]([n]5ccccc5)([n]5ccccc5)([N]1=N#N)[O]=C(O2)Cc1ccccc1C1=[O][Cu]2(OC(=[O][Cu](O1)([N]2=N#N)N=N#N)Cc1ccccc41)([n]1ccccc1)[n]1ccccc1)[N]3=N#N |
| Title of publication | Structure and magnetic properties of a copper(II) coordination polymer based on azide, pyridine and homophthalic acid |
| Authors of publication | Ma, Jie; Wang, Deng-Feng; Fan, Li-Qun; Zhou, Kang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 9.882 ± 0.004 Å |
| b | 11.07 ± 0.003 Å |
| c | 12.287 ± 0.004 Å |
| α | 66.194 ± 0.018° |
| β | 78.01 ± 0.02° |
| γ | 63.966 ± 0.016° |
| Cell volume | 1104.2 ± 0.7 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020213.cif 2020213.hkl |
| 167924 | 2015-10-14 | cif/ hkl/ Adding structures of 2020213 via cif-deposit CGI script. |
2020213.cif 2020213.hkl |
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.