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Information card for entry 4000431
Preview
| Coordinates | 4000431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (6) Zn4(OMPec)4(Et)4 |
|---|---|
| Formula | C28 H56 O4 Zn4 |
| Calculated formula | C28 H56 O4 Zn4 |
| SMILES | CC[Zn]12[O]3([Zn]4([O]2([Zn]2([O]1([Zn]3([O]24C1CCCC1)CC)C1CCCC1)CC)C1CCCC1)CC)C1CCCC1 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 8.166 ± 0.003 Å |
| b | 19.155 ± 0.008 Å |
| c | 10.522 ± 0.004 Å |
| α | 90° |
| β | 97.35 ± 0.006° |
| γ | 90° |
| Cell volume | 1632.4 ± 1.1 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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.