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Information card for entry 2312364
Preview
| Coordinates | 2312364.cif |
|---|---|
| Structure factors | 2312364.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^1^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^-bis[bromido/chlorido(0.7/0.3)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.1/0.9)] |
|---|---|
| Formula | C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 |
| Calculated formula | C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 |
| Title of publication | An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties. |
| Authors of publication | Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 520 - 529 |
| a | 8.2698 ± 0.0002 Å |
| b | 8.406 ± 0.0002 Å |
| c | 10.3062 ± 0.0002 Å |
| α | 84.826 ± 0.002° |
| β | 69.156 ± 0.002° |
| γ | 87.133 ± 0.002° |
| Cell volume | 666.7 ± 0.03 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287917 (current) | 2023-12-01 | cif/ hkl/ Adding structures of 2312363, 2312364 via cif-deposit CGI script. |
2312364.cif 2312364.hkl |
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Users of the data should acknowledge the original authors of the
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