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Information card for entry 2021668
Preview
| Coordinates | 2021668.cif |
|---|---|
| Structure factors | 2021668.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^-bis({6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)) |
|---|---|
| Formula | C26 H24 Cu2 N16 O2 |
| Calculated formula | C26 H24 Cu2 N16 O2 |
| SMILES | [Cu]123(OC(=N[N]2=C(c2[n]1ccnc2)C)c1cnc(cc1)C)[N]([Cu]12(OC(=N[N]2=C(c2[n]1ccnc2)C)c1ccc(nc1)C)[N]3=N#N)=N#N |
| Title of publication | Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes |
| Authors of publication | Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| a | 7.8491 ± 0.0005 Å |
| b | 7.8762 ± 0.0006 Å |
| c | 12.3391 ± 0.0008 Å |
| α | 100.236 ± 0.002° |
| β | 94.225 ± 0.002° |
| γ | 101.865 ± 0.002° |
| Cell volume | 729.81 ± 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021668.cif 2021668.hkl |
| 216001 | 2019-06-15 | cif/ hkl/ Adding structures of 2021668, 2021669 via cif-deposit CGI script. |
2021668.cif 2021668.hkl |
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