Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564679
Preview
| Coordinates | 1564679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H54 B11 Br Cl2 Ge N2 |
|---|---|
| Calculated formula | C36 H45 B11 Br Cl2 Ge N2 |
| Title of publication | Ring-opening and ring-expansion reactions of carborane-fused borirane |
| Authors of publication | Wang, Hanqiang; Zhang, Jie; Xie, Zuowei |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 19.8553 ± 0.0007 Å |
| b | 11.6749 ± 0.0004 Å |
| c | 20.9061 ± 0.0007 Å |
| α | 90° |
| β | 106.198 ± 0.0012° |
| γ | 90° |
| Cell volume | 4653.8 ± 0.3 Å3 |
| Cell temperature | 279 ± 2 K |
| Ambient diffraction temperature | 279 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0633 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1687 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269187 (current) | 2021-09-18 | cif/ Adding structures of 1564672, 1564673, 1564674, 1564675, 1564676, 1564677, 1564678, 1564679, 1564680 via cif-deposit CGI script. |
1564679.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.