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Information card for entry 7059271
Preview
| Coordinates | 7059271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H16 N5 O1.5 |
|---|---|
| Calculated formula | C10 H16 N5 O1.5 |
| Title of publication | Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions |
| Authors of publication | Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 5 |
| Pages of publication | 2146 - 2154 |
| a | 10.0278 ± 0.0004 Å |
| b | 10.815 ± 0.0004 Å |
| c | 11.265 ± 0.0004 Å |
| α | 90° |
| β | 98.834 ± 0.001° |
| γ | 90° |
| Cell volume | 1207.2 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059271.cif |
| 257711 | 2020-10-06 | cif/ Updating files of 7059271, 7059272, 7059273, 7059274 Original log message: Adding full bibliography for 7059271--7059274.cif. |
7059271.cif |
| 247556 | 2020-02-04 | cif/ Adding structures of 7059271, 7059272, 7059273, 7059274 via cif-deposit CGI script. |
7059271.cif |
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Users of the data should acknowledge the original authors of the
structural data.