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Information card for entry 2227509
Preview
| Coordinates | 2227509.cif |
|---|---|
| Structure factors | 2227509.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>-ethylpyrimidin-2- amine)copper(II)](<i>Cu</i>—<i>Cu</i>) |
|---|---|
| Formula | C20 H30 Cu2 N6 O8 |
| Calculated formula | C20 H30 Cu2 N6 O8 |
| SMILES | C1(C)=[O][Cu]234([n]5cccnc5NCC)[O]=C(C)O[Cu]2(O1)([n]1cccnc1NCC)([O]=C(C)O3)[O]=C(C)O4 |
| Title of publication | Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>-ethylpyrimidin-2-amine)copper(II)](<i>Cu</i>—<i>Cu</i>) |
| Authors of publication | Aiyub, Zaharah; Badaruddin, Edura; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1181 |
| a | 7.8488 ± 0.0006 Å |
| b | 8.5114 ± 0.0007 Å |
| c | 10.2999 ± 0.0008 Å |
| α | 98.404 ± 0.001° |
| β | 92.698 ± 0.001° |
| γ | 105.599 ± 0.001° |
| Cell volume | 652.92 ± 0.09 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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/2227509.html
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Users of the data should acknowledge the original authors of the
structural data.