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Information card for entry 2244111
Preview
| Coordinates | 2244111.cif |
|---|---|
| Structure factors | 2244111.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C18 H14 Cl2 N2 O2 Zn |
| Calculated formula | C18 H14 Cl2 N2 O2 Zn |
| SMILES | [Zn](Cl)(Cl)([O]=n1c2ccccc2ccc1)[O]=n1c2ccccc2ccc1 |
| Title of publication | Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide |
| Authors of publication | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 7 |
| a | 8.5167 ± 0.0004 Å |
| b | 7.8697 ± 0.0004 Å |
| c | 13.1617 ± 0.0007 Å |
| α | 90° |
| β | 94.89 ± 0.005° |
| γ | 90° |
| Cell volume | 878.94 ± 0.08 Å3 |
| Cell temperature | 298 ± 0.4 K |
| Ambient diffraction temperature | 298 ± 0.4 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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 |
|---|---|---|---|
| 275969 (current) | 2022-06-11 | cif/ hkl/ Adding structures of 2244111, 2244112, 2244113 via cif-deposit CGI script. |
2244111.cif 2244111.hkl |
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Users of the data should acknowledge the original authors of the
structural data.