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Information card for entry 8106401
Preview
| Coordinates | 8106401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N4 O6 Zn |
|---|---|
| Calculated formula | C18 H22 N4 O6 Zn |
| SMILES | c12cccc[n]2[Zn]2([N](=C1C)O)([n]1c(cccc1)C(C)=[N]2O)(OC(=O)C)OC(=O)C |
| Title of publication | Crystal structure of bis(acetato-κ1 O)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2 N,N′)zinc(II), C18H22N4O6Zn |
| Authors of publication | Zuo, Jian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1067 - 1068 |
| a | 9.9422 ± 0.0018 Å |
| b | 16.904 ± 0.003 Å |
| c | 15.5509 ± 0.0019 Å |
| α | 90° |
| β | 128.569 ± 0.007° |
| γ | 90° |
| Cell volume | 2043.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279904 (current) | 2022-12-15 | cif/ Adding structures of 8106401 via cif-deposit CGI script. |
8106401.cif |
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Users of the data should acknowledge the original authors of the
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