Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125112
Preview
| Coordinates | 7125112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H60 B2 N2 |
|---|---|
| Calculated formula | C50 H60 B2 N2 |
| Title of publication | A boron-centered radical: a potassium-crown ether stabilized boryl radical anion. |
| Authors of publication | Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 86 |
| Pages of publication | 12714 - 12716 |
| a | 12.89 ± 0.003 Å |
| b | 9.6595 ± 0.0019 Å |
| c | 16.653 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2073.5 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234525 (current) | 2019-11-23 | cif/ Adding structures of 7125112, 7125113 via cif-deposit CGI script. |
7125112.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.