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Information card for entry 1556513
Preview
| Coordinates | 1556513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 'Bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))magnesium n-heptane solvate' |
|---|---|
| Formula | C47.5 H50 Mg0.5 N3 |
| Calculated formula | C47.5 H50 Mg0.5 N3 |
| Title of publication | Hetero- and Homoleptic Magnesium Triazenides |
| Authors of publication | Vindus, D.; Niemeyer, M. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 33 |
| a | 15.0589 ± 0.0012 Å |
| b | 13.0937 ± 0.001 Å |
| c | 20.3232 ± 0.0016 Å |
| α | 90° |
| β | 99.013 ± 0.003° |
| γ | 90° |
| Cell volume | 3957.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.179 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556513.cif |
| 244995 | 2019-12-11 | cif/ Adding structures of 1556509, 1556510, 1556511, 1556512, 1556513, 1556514 via cif-deposit CGI script. |
1556513.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.