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Information card for entry 2021669
Preview
| Coordinates | 2021669.cif |
|---|---|
| Structure factors | 2021669.hkl |
| Original IUCr paper | HTML |
| Chemical name | 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 N10 Ni O2 |
| Calculated formula | C26 H24 N10 Ni O2 |
| SMILES | [Ni]1234(OC(=N[N]2=C(c2[n]1ccnc2)C)c1ccc(nc1)C)OC(=N[N]4=C(c1[n]3ccnc1)C)c1ccc(nc1)C |
| 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 | 11.9385 ± 0.0006 Å |
| b | 9.7023 ± 0.0004 Å |
| c | 22.5975 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2617.5 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216001 (current) | 2019-06-15 | cif/ hkl/ Adding structures of 2021668, 2021669 via cif-deposit CGI script. |
2021669.cif 2021669.hkl |
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public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.