Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2222092
Preview
Coordinates | 2222092.cif |
---|---|
Structure factors | 2222092.hkl |
Original IUCr paper | HTML |
Chemical name | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^2^,<i>N</i>^2^- dimethylpyrazin-2-amine-κ<i>N</i>^4^)copper(II)] |
---|---|
Formula | C20 H30 Cu2 N6 O8 |
Calculated formula | C20 H30 Cu2 N6 O8 |
SMILES | C1(C)=[O][Cu]234([n]5ccnc(c5)N(C)C)[O]=C(C)O[Cu]4([n]4ccnc(c4)N(C)C)([O]=C(O3)C)(O1)[O]=C(O2)C |
Title of publication | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^2^,<i>N</i>^2^-dimethylpyrazin-2-amine-κ<i>N</i>^4^)copper(II)] |
Authors of publication | Meng, Lin; Yang, Lin Yan; Shi, Jing Min |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | m646 |
a | 8.1052 ± 0.0013 Å |
b | 8.1775 ± 0.0013 Å |
c | 10.6534 ± 0.0017 Å |
α | 67.826 ± 0.002° |
β | 80.013 ± 0.002° |
γ | 87.328 ± 0.002° |
Cell volume | 643.84 ± 0.18 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0338 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/2222092.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.