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Information card for entry 4000437
Preview
| Coordinates | 4000437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (10) Zn(DMP)2(py)2 |
|---|---|
| Formula | C26 H28 N2 O2 Zn |
| Calculated formula | C26 H28 N2 O2 Zn |
| SMILES | Cc1cccc(c1O[Zn]([n]1ccccc1)([n]1ccccc1)Oc1c(C)cccc1C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 14.232 ± 0.003 Å |
| b | 12.391 ± 0.003 Å |
| c | 14.194 ± 0.003 Å |
| α | 90° |
| β | 108.743 ± 0.004° |
| γ | 90° |
| Cell volume | 2370.5 ± 1 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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.