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Information card for entry 7243412
Preview
| Coordinates | 7243412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H28 N2 O4 Zn |
|---|---|
| Calculated formula | C41 H28 N2 O4 Zn |
| SMILES | [Zn]1234Oc5ccc6ccccc6c5C=[N]3c3ccccc3[O]1c1c(cccc1Oc1ccccc1[N]4=Cc1c3ccccc3ccc1O2)C |
| Title of publication | Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies |
| Authors of publication | Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 36 |
| Pages of publication | 6322 - 6339 |
| a | 11.3049 ± 0.0004 Å |
| b | 17.2598 ± 0.0007 Å |
| c | 15.7727 ± 0.0006 Å |
| α | 90° |
| β | 92.748 ± 0.0015° |
| γ | 90° |
| Cell volume | 3074 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269674 (current) | 2021-10-06 | cif/ Updating files of 7243407, 7243408, 7243409, 7243410, 7243411, 7243412, 7243413 Original log message: Adding full bibliography for 7243407--7243413.cif. |
7243412.cif |
| 268171 | 2021-08-24 | cif/ Adding structures of 7243407, 7243408, 7243409, 7243410, 7243411, 7243412, 7243413 via cif-deposit CGI script. |
7243412.cif |
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Users of the data should acknowledge the original authors of the
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