Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2244112
Preview
| Coordinates | 2244112.cif |
|---|---|
| Structure factors | 2244112.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromidobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C18 H14 Br2 N2 O2 Zn |
| Calculated formula | C18 H14 Br2 N2 O2 Zn |
| SMILES | [Zn](Br)(Br)([O]=n1c2c(ccc1)cccc2)[O]=n1c2c(ccc1)cccc2 |
| 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 | 16.3922 ± 0.0011 Å |
| b | 7.3527 ± 0.0006 Å |
| c | 15.5809 ± 0.001 Å |
| α | 90° |
| β | 97.113 ± 0.006° |
| γ | 90° |
| Cell volume | 1863.5 ± 0.2 Å3 |
| Cell temperature | 297.8 ± 0.3 K |
| Ambient diffraction temperature | 297.8 ± 0.3 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 | 0.0883 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
2244112.cif 2244112.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.