Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573869
Preview
| Coordinates | 1573869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2PhN-BTM |
|---|---|
| Formula | C25 H14 Cl6 N |
| Calculated formula | C25 H14 Cl6 N |
| Title of publication | Stable Luminescent Diphenylamine Biphenylmethyl Radicals with α-Type D₀→ D₁ Transition and Antiferromagnetic Properties |
| Authors of publication | Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 16.4717 ± 0.0016 Å |
| b | 8.3566 ± 0.0009 Å |
| c | 17.0028 ± 0.0018 Å |
| α | 90° |
| β | 103.423 ± 0.004° |
| γ | 90° |
| Cell volume | 2276.5 ± 0.4 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 4 |
| 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297669 (current) | 2025-02-11 | cif/ Adding structures of 1573868, 1573869 via cif-deposit CGI script. |
1573869.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.