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Information card for entry 7708609
Preview
| Coordinates | 7708609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H26 N4 O2 S2 Zn |
|---|---|
| Calculated formula | C40 H26 N4 O2 S2 Zn |
| SMILES | [Zn]12(Oc3c(c4sc5ccccc5n4)cccc3C=[N]1c1ccccc1)Oc1c(C=[N]2c2ccccc2)cccc1c1sc2ccccc2n1 |
| Title of publication | Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings |
| Authors of publication | Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 13.1878 ± 0.0003 Å |
| b | 15.1875 ± 0.0003 Å |
| c | 16.8527 ± 0.0004 Å |
| α | 90° |
| β | 108.139 ± 0.002° |
| γ | 90° |
| Cell volume | 3207.68 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0264 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270119 (current) | 2021-10-29 | cif/ Adding structures of 7708607, 7708608, 7708609 via cif-deposit CGI script. |
7708609.cif |
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Users of the data should acknowledge the original authors of the
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