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Information card for entry 4342147
Preview
| Coordinates | 4342147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 Ga4 N8 |
|---|---|
| Calculated formula | C48 H64 Ga4 N8 |
| SMILES | C[Ga]12N(C(=[N]1C(C)(C)C)c1ccccc1)[Ga]1(C)[N](=C(c3ccccc3)N1[Ga]1(C)N(C(=[N]1C(C)(C)C)c1ccccc1)[Ga]1(N2C(=[N]1C(C)(C)C)c1ccccc1)C)C(C)(C)C |
| 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 | 23.0044 ± 0.0006 Å |
| b | 11.38343 ± 0.00019 Å |
| c | 23.2147 ± 0.0008 Å |
| α | 90° |
| β | 117.671 ± 0.004° |
| γ | 90° |
| Cell volume | 5383.9 ± 0.3 Å3 |
| Cell temperature | 149.8 ± 0.8 K |
| Ambient diffraction temperature | 149.8 ± 0.8 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
4342147.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. |
4342147.cif |
| 130387 | 2015-02-04 | cif/ Adding structures of 4342142, 4342143, 4342144, 4342145, 4342146, 4342147, 4342148, 4342149, 4342150 via cif-deposit CGI script. |
4342147.cif |
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Users of the data should acknowledge the original authors of the
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