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Information card for entry 7112034
Preview
| Coordinates | 7112034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H63 Li3 N4 |
|---|---|
| Calculated formula | C29 H63 Li3 N4 |
| SMILES | C[N]1(C)[C@@H]2CCCC[C@@H]2[N](C)(C)[Li]12[CH](C)(C)[Li]1([CH]2(C)C)[CH2]2[CH]13=[CH2][Li]123[N](C)(C)[C@@H]2CCCC[C@@H]2[N]1(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 | 12.0087 ± 0.0006 Å |
| b | 14.031 ± 0.0006 Å |
| c | 20.106 ± 0.0008 Å |
| α | 90° |
| β | 92.561 ± 0.004° |
| γ | 90° |
| Cell volume | 3384.4 ± 0.3 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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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Users of the data should acknowledge the original authors of the
structural data.