Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085818
Preview
| Coordinates | 4085818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Al N2 |
|---|---|
| Calculated formula | C19 H21 Al N2 |
| SMILES | [Al]1(C)(C)n2c(C=[N]1c1c(cccc1C)C)cc1ccccc21 |
| Title of publication | Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines |
| Authors of publication | Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 10 |
| Pages of publication | 1882 |
| a | 9.5117 ± 0.0008 Å |
| b | 12.111 ± 0.001 Å |
| c | 15.6113 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1798.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085818.cif |
| 141374 | 2015-07-09 | cif/ Updating files of 4085814, 4085815, 4085816, 4085817, 4085818, 4085819, 4085820 Original log message: Adding full bibliography for 4085814--4085820.cif. |
4085818.cif |
| 136840 | 2015-05-18 | cif/ Adding structures of 4085814, 4085815, 4085816, 4085817, 4085818, 4085819, 4085820 via cif-deposit CGI script. |
4085818.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.