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Information card for entry 4075557
Preview
| Coordinates | 4075557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | iPrLZn2(OC(=CMe2)iPr)2 (2b) |
|---|---|
| Formula | C42 H68 N4 O3 Zn2 |
| Calculated formula | C42 H68 N4 O3 Zn2 |
| SMILES | [Zn]123[O](C(=C(C)C)C(C)C)[Zn]4([O]1C(=C(C)C)C(C)C)N(c1c5oc6c(N2CC[N]3(C(C)C)C(C)C)cccc6c5ccc1)CC[N]4(C(C)C)C(C)C |
| Title of publication | Structures of Zinc Ketone Enolates |
| Authors of publication | Hlavinka, Mark L.; Hagadorn, John R. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 14 |
| Pages of publication | 3501 |
| a | 18.6748 ± 0.0005 Å |
| b | 13.3529 ± 0.0004 Å |
| c | 16.9723 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4232.3 ± 0.2 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| 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.