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Information card for entry 2244188
Preview
| Coordinates | 2244188.cif |
|---|---|
| Structure factors | 2244188.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(4-methylbenzamide-κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C16 H18 Cl2 N2 O2 Zn |
| Calculated formula | C16 H18 Cl2 N2 O2 Zn |
| SMILES | [Zn](Cl)(Cl)([O]=C(N)c1ccc(cc1)C)[O]=C(N)c1ccc(cc1)C |
| Title of publication | Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride |
| Authors of publication | Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| Pages of publication | 880 - 886 |
| a | 6.8376 ± 0.0004 Å |
| b | 17.2694 ± 0.0009 Å |
| c | 14.9856 ± 0.0007 Å |
| α | 90° |
| β | 96.893 ± 0.002° |
| γ | 90° |
| Cell volume | 1756.73 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278296 (current) | 2022-10-01 | cif/ hkl/ Adding structures of 2244185, 2244186, 2244187, 2244188, 2244189 via cif-deposit CGI script. |
2244188.cif 2244188.hkl |
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Users of the data should acknowledge the original authors of the
structural data.