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Information card for entry 4000430
Preview
| Coordinates | 4000430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (5) Zn4(OMBuc)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]24CC1CCC1)CC)CC1CCC1)CC)CC1CCC1)CC)CC1CCC1 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 16.994 ± 0.004 Å |
| b | 16.994 ± 0.004 Å |
| c | 11.133 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3215.3 ± 1.5 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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.