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Information card for entry 4000443
Preview
| Coordinates | 4000443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (12a) Zn(DBP)2(MeIm)2 |
|---|---|
| Formula | C38.5 H56.5 N4.5 O2 Zn |
| Calculated formula | C36 H54 N4 O2 Zn |
| SMILES | Cn1cc[n](c1)[Zn]([n]1ccn(c1)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 9.9659 ± 0.0015 Å |
| b | 11.3618 ± 0.0017 Å |
| c | 17.525 ± 0.003 Å |
| α | 73.833 ± 0.003° |
| β | 87.377 ± 0.003° |
| γ | 87.482 ± 0.003° |
| Cell volume | 1902.9 ± 0.5 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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