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Information card for entry 4000440
Preview
| Coordinates | 4000440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (11) Zn(DIP)2(py)2 |
|---|---|
| Formula | C34 H44 N2 O2 Zn |
| Calculated formula | C34 H44 N2 O2 Zn |
| SMILES | CC(c1cccc(c1O[Zn]([n]1ccccc1)([n]1ccccc1)Oc1c(cccc1C(C)C)C(C)C)C(C)C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 15.573 ± 0.005 Å |
| b | 10.764 ± 0.003 Å |
| c | 19.106 ± 0.006 Å |
| α | 90° |
| β | 101.762 ± 0.005° |
| γ | 90° |
| Cell volume | 3135.5 ± 1.6 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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.