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Information card for entry 7112032
Preview
| Coordinates | 7112032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 Li2 N4 |
|---|---|
| Calculated formula | C32 H54 Li2 N4 |
| SMILES | C1=CC=C[C]2(=C1)[Li]1([C]3(=CC=CC=C3)[Li]32[N]([C@@H]2[C@@H](CCCC2)[N]3(C)C)(C)C)[N]([C@H]2[C@H](CCCC2)[N]1(C)C)(C)C |
| Title of publication | Unexpected structural motifs in diamine coordination compounds with allyllithium |
| Authors of publication | Prisca K. Eckert; Barbara Schnura; Carsten Strohmann |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2532 |
| a | 16.7224 ± 0.0013 Å |
| b | 12.6623 ± 0.0009 Å |
| c | 16.7224 ± 0.0013 Å |
| α | 90° |
| β | 118.06° |
| γ | 90° |
| Cell volume | 3124.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0793 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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