Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514441
Preview
| Coordinates | 4514441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H8 Cl3 Mn N O |
|---|---|
| Calculated formula | C5 H8 Cl3 Mn N O |
| Title of publication | Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation. |
| Authors of publication | Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 8039 - 8045 |
| a | 11.417 ± 0.002 Å |
| b | 7.2779 ± 0.0015 Å |
| c | 11.817 ± 0.002 Å |
| α | 90° |
| β | 102.83 ± 0.03° |
| γ | 90° |
| Cell volume | 957.4 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219544 (current) | 2019-10-28 | cif/ Adding structures of 4514441 via cif-deposit CGI script. |
4514441.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.