Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250857
Preview
| Coordinates | 7250857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H31 B N2 |
|---|---|
| Calculated formula | C36 H31 B N2 |
| Title of publication | Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene |
| Authors of publication | Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 40 |
| Pages of publication | 33531 - 33535 |
| a | 11.4488 ± 0.0008 Å |
| b | 10.5125 ± 0.0009 Å |
| c | 23.383 ± 0.002 Å |
| α | 90° |
| β | 101.81 ± 0.006° |
| γ | 90° |
| Cell volume | 2754.7 ± 0.4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| 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 | 0.1363 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1717 |
| Weighted residual factors for all reflections included in the refinement | 0.2244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302154 (current) | 2025-09-16 | cif/ Adding structures of 7250856, 7250857, 7250858, 7250859, 7250860, 7250861, 7250862 via cif-deposit CGI script. |
7250857.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.