Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104559
Preview
| Coordinates | 8104559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Cl4 N4 O |
|---|---|
| Calculated formula | C19 H24 Cl4 N4 O |
| Title of publication | The crystal structure of 3,3′-[1,4-phenylenebis(methylene)]bis(1-ethenyl-1H-imidazol-3-ium) dichloride – dichloromethane – water (1/1/1), C19H24Cl4N4O1 |
| Authors of publication | Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1175 - 1177 |
| a | 8.593 ± 0.0004 Å |
| b | 12.0814 ± 0.0005 Å |
| c | 12.243 ± 0.0005 Å |
| α | 69.805 ± 0.002° |
| β | 75.282 ± 0.001° |
| γ | 86.733 ± 0.002° |
| Cell volume | 1153.07 ± 0.09 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272879 (current) | 2022-02-09 | cif/ Adding structures of 8104559 via cif-deposit CGI script. |
8104559.cif |
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.