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Information card for entry 4347612
Preview
| Coordinates | 4347612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H32 N2 O2 Zn |
|---|---|
| Calculated formula | C38 H32 N2 O2 Zn |
| SMILES | [Zn]12(Oc3ccc4ccccc4c3C=[N]1[C@H](C)c1ccccc1)Oc1ccc3ccccc3c1C=[N]2[C@H](C)c1ccccc1 |
| Title of publication | Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality. |
| Authors of publication | Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 13 |
| Pages of publication | 6449 - 6464 |
| a | 9.4341 ± 0.0016 Å |
| b | 9.4537 ± 0.0016 Å |
| c | 18.85 ± 0.003 Å |
| α | 88.25 ± 0.01° |
| β | 80.07 ± 0.01° |
| γ | 63.951 ± 0.009° |
| Cell volume | 1485.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347612.cif |
| 232406 | 2019-11-23 | cif/ Adding structures of 4347612 via cif-deposit CGI script. |
4347612.cif |
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Users of the data should acknowledge the original authors of the
structural data.