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Information card for entry 4347614
Preview
| Coordinates | 4347614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis{(R)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II) |
|---|---|
| Formula | C40 H36 N2 O4 Zn |
| Calculated formula | C40 H36 N2 O4 Zn |
| SMILES | [Zn]12(Oc3c(c4ccccc4cc3)C=[N]1[C@H](C)c1ccc(OC)cc1)Oc1c(c3ccccc3cc1)C=[N]2[C@H](C)c1ccc(OC)cc1 |
| 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 | 12.0388 ± 0.0009 Å |
| b | 19.0223 ± 0.0014 Å |
| c | 15.342 ± 0.0011 Å |
| α | 90° |
| β | 108.78 ± 0.002° |
| γ | 90° |
| Cell volume | 3326.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| 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. |
4347614.cif |
| 232408 | 2019-11-23 | cif/ Adding structures of 4347614 via cif-deposit CGI script. |
4347614.cif |
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Users of the data should acknowledge the original authors of the
structural data.