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Information card for entry 7232439
Preview
| Coordinates | 7232439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H44 N2 O12 Zn3 |
|---|---|
| Calculated formula | C40 H44 N2 O12 Zn3 |
| Title of publication | A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature |
| Authors of publication | Liu, Meiying; Yu, Haiyang; Liu, Zhiliang |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 14 |
| Pages of publication | 2355 |
| a | 10.474 ± 0.0005 Å |
| b | 17.8233 ± 0.0009 Å |
| c | 11.7087 ± 0.0005 Å |
| α | 90° |
| β | 107.009 ± 0.0013° |
| γ | 90° |
| Cell volume | 2090.18 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1833 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232439.cif |
| 223649 | 2019-11-07 | cif/ Updating files of 7232439, 7232440 Original log message: Adding full bibliography for 7232439--7232440.cif. |
7232439.cif |
| 213843 | 2019-02-26 | cif/ Adding structures of 7232439, 7232440 via cif-deposit CGI script. |
7232439.cif |
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Users of the data should acknowledge the original authors of the
structural data.