Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123806
Preview
| Coordinates | 7123806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H69 B Ca N4 O |
|---|---|
| Calculated formula | C47 H69 B Ca N4 O |
| Title of publication | Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide |
| Authors of publication | Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 11.3589 ± 0.0004 Å |
| b | 12.5204 ± 0.0004 Å |
| c | 16.7864 ± 0.0006 Å |
| α | 89.94 ± 0.001° |
| β | 76.534 ± 0.001° |
| γ | 79.186 ± 0.001° |
| Cell volume | 2278.19 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216906 (current) | 2019-07-10 | cif/ Adding structures of 7123804, 7123805, 7123806, 7123807, 7123808 via cif-deposit CGI script. |
7123806.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.