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Information card for entry 4000436
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| Coordinates | 4000436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (9b) Zn2(DBP)2(Et)2 |
|---|---|
| Formula | C32 H52 O2 Zn2 |
| Calculated formula | C32 H52 O2 Zn2 |
| SMILES | CC[Zn]1[O]([Zn]([O]1c1c(cccc1C(C)(C)C)C(C)(C)C)CC)c1c(cccc1C(C)(C)C)C(C)(C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 10.1258 ± 0.0014 Å |
| b | 9.8195 ± 0.0014 Å |
| c | 15.366 ± 0.002 Å |
| α | 90° |
| β | 92.717 ± 0.003° |
| γ | 90° |
| Cell volume | 1526.1 ± 0.4 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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.