Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4342149
Preview
| Coordinates | 4342149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H42 Ga2 N4 |
|---|---|
| Calculated formula | C26 H42 Ga2 N4 |
| SMILES | C[Ga]1(C)[N](=C(NC(C)(C)C)c2ccccc2)[Ga](C)(C)[N]1=C(NC(C)(C)C)c1ccccc1 |
| Title of publication | Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum. |
| Authors of publication | Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 2000 - 2008 |
| a | 10.6745 ± 0.0007 Å |
| b | 9.7298 ± 0.0005 Å |
| c | 13.8119 ± 0.0007 Å |
| α | 90° |
| β | 92.884 ± 0.006° |
| γ | 90° |
| Cell volume | 1432.7 ± 0.14 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.062 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.337 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179524 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/21. |
4342149.cif |
| 132780 | 2015-03-04 | cif/ Updating files of 4342142, 4342143, 4342144, 4342145, 4342146, 4342147, 4342148, 4342149, 4342150 Original log message: Adding full bibliography for 4342142--4342150.cif. |
4342149.cif |
| 130387 | 2015-02-04 | cif/ Adding structures of 4342142, 4342143, 4342144, 4342145, 4342146, 4342147, 4342148, 4342149, 4342150 via cif-deposit CGI script. |
4342149.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.