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Information card for entry 2022739
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| Coordinates | 2022739.cif |
|---|---|
| Structure factors | 2022739.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-3-ethyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-1-ido]bis[acetato(dimethylacetamide)copper(II)] |
|---|---|
| Formula | C28 H38 Cu2 N10 O6 |
| Calculated formula | C28 H38 Cu2 N10 O6 |
| Title of publication | Synthesis and crystal structure of a new copper(II) complex based on 5-ethyl-3-(pyridin-2-yl)-1,2,4-triazole. |
| Authors of publication | Petrenko, Yuliia P.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 432 - 435 |
| a | 9.4445 ± 0.0005 Å |
| b | 8.9404 ± 0.0004 Å |
| c | 20.2237 ± 0.0009 Å |
| α | 90° |
| β | 93.257 ± 0.004° |
| γ | 90° |
| Cell volume | 1704.88 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284377 (current) | 2023-06-06 | cif/ Updating files of 2022739 Original log message: Adding full bibliography for 2022739.cif. |
2022739.cif 2022739.hkl |
| 282647 | 2023-04-15 | cif/ hkl/ Adding structures of 2022739 via cif-deposit CGI script. |
2022739.cif 2022739.hkl |
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Users of the data should acknowledge the original authors of the
structural data.