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Information card for entry 1556509
Preview
| Coordinates | 1556509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H62 I Mg N3 O |
|---|---|
| Calculated formula | C49 H62 I Mg N3 O |
| SMILES | [Mg]1(N(N=[N]1c1c(cccc1)c1c(cc(C(C)C)cc1C(C)C)C(C)C)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(C)cc1C)([O](CC)CC)I |
| 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 | 8.9827 ± 0.0002 Å |
| b | 23.6098 ± 0.0006 Å |
| c | 22.1855 ± 0.0005 Å |
| α | 90° |
| β | 90.818 ± 0.001° |
| γ | 90° |
| Cell volume | 4704.62 ± 0.19 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0723 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244995 (current) | 2019-12-11 | cif/ Adding structures of 1556509, 1556510, 1556511, 1556512, 1556513, 1556514 via cif-deposit CGI script. |
1556509.cif |
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Users of the data should acknowledge the original authors of the
structural data.