Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245417
Preview
| Coordinates | 7245417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1-Ethylimidazolium)2 MnCl4 |
|---|---|
| Formula | C10 H16 Cl4 Mn N4 |
| Calculated formula | C10 H16 Cl4 Mn N4 |
| SMILES | [Mn](Cl)(Cl)([Cl-])[Cl-].[nH+]1cn(cc1)CC.[nH+]1ccn(c1)CC |
| Title of publication | Manganese Halide Hybrids with Reversible Luminous Color and Application for White Light-emitting Diode |
| Authors of publication | Fu, Hanmei; Jiang, Chunli; Luo, Chunhua; Lin, Hechun; Peng, Hui |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 13.3355 ± 0.0006 Å |
| b | 7.8283 ± 0.0003 Å |
| c | 16.6774 ± 0.0008 Å |
| α | 90° |
| β | 92.888 ± 0.002° |
| γ | 90° |
| Cell volume | 1738.81 ± 0.13 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1735 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277565 (current) | 2022-09-02 | cif/ Adding structures of 7245417 via cif-deposit CGI script. |
7245417.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.