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Information card for entry 2223045
Preview
| Coordinates | 2223045.cif |
|---|---|
| Structure factors | 2223045.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(2-hydroxy-2-phenylacetato- κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc(II)]- μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C28 H26 N2 O6 Zn |
| Calculated formula | C28 H26 N2 O6 Zn |
| SMILES | [Zn]12(OC(=O)[C@@H]([OH]1)c1ccccc1)(OC(=O)[C@@H]([OH]2)c1ccccc1)([n]1ccc(cc1)CCc1ccncc1)[n]1ccc(cc1)CCc1cc[n](cc1)[Zn]12(OC(=O)[C@@H]([OH]2)c2ccccc2)OC(=O)[C@@H]([OH]1)c1ccccc1 |
| Title of publication | <i>catena</i>-Poly[[bis(2-hydroxy-2-phenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Yu, Seung Man; Shin, Dong Hoon; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 9 |
| Pages of publication | m1045 - m1046 |
| a | 11.136 ± 0.0006 Å |
| b | 11.136 ± 0.0006 Å |
| c | 33.11 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3555.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2223045.html
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