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Information card for entry 2019252
Preview
| Coordinates | 2019252.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>'-bis[(6-chloro-2-{(<i>E</i>)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)dizinc(II)] |
|---|---|
| Formula | C31 H27 Cl5 N4 O6 Zn2 |
| Calculated formula | C31 H27 Cl5 N4 O6 Zn2 |
| SMILES | [Zn]123([n]4ccccc4C[N]1=Cc1c(c(ccc1)Cl)O2)[O]=C(O[Zn]12([O]3C(=O)C)[n]3ccccc3C[N]1=Cc1cccc(c1O2)Cl)C.C(Cl)(Cl)Cl |
| Title of publication | Different Zn^II^ cation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate |
| Authors of publication | Kim, Young-Inn; Lee, Jin Young; Song, Young-Kwang; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | 1348 - 1350 |
| a | 9.3167 ± 0.0003 Å |
| b | 10.1345 ± 0.0003 Å |
| c | 19.4988 ± 0.0006 Å |
| α | 88.344 ± 0.001° |
| β | 88.179 ± 0.001° |
| γ | 67.092 ± 0.005° |
| Cell volume | 1694.75 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019252.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019252.cif |
| 91185 | 2013-12-09 | cif/ Adding structures of 2019252 via cif-deposit CGI script. |
2019252.cif |
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Users of the data should acknowledge the original authors of the
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