Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7243970
Preview
| Coordinates | 7243970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H50 N10 O4 |
|---|---|
| Calculated formula | C60 H54 N10 O4 |
| Title of publication | A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism |
| Authors of publication | Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 3 |
| Pages of publication | 543 - 551 |
| a | 11.5136 ± 0.0005 Å |
| b | 14.4562 ± 0.0005 Å |
| c | 16.368 ± 0.0006 Å |
| α | 75.824 ± 0.003° |
| β | 85.556 ± 0.003° |
| γ | 89.48 ± 0.003° |
| Cell volume | 2633.3 ± 0.18 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0949 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1927 |
| Weighted residual factors for all reflections included in the refinement | 0.2035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272629 (current) | 2022-02-04 | cif/ Updating files of 7243970, 7243971 Original log message: Adding full bibliography for 7243970--7243971.cif. |
7243970.cif |
| 270893 | 2021-11-27 | cif/ Adding structures of 7243970, 7243971 via cif-deposit CGI script. |
7243970.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.