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Information card for entry 7225290
Preview
| Coordinates | 7225290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 Cl2 N5 O S Zn |
|---|---|
| Calculated formula | C11 H13 Cl2 N5 O S Zn |
| SMILES | [Zn]1(Cl)(Cl)[n]2c(cccc2)C(=[N]1/N=C1\SCC(=O)N1CC)N |
| Title of publication | Novel Zn(II)-thiazolone-based Solid Fluorescent Chemosensors: Naked-eye Detection for Acid/Base and Toluene |
| Authors of publication | Lin, Xu-Dong; Peng, Biao; Li, Shaoyong; Shao, Jia; Li, Qingzhong; Xie, Cheng-Zhi; Xu, Jing-Yuan |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.624 ± 0.002 Å |
| b | 11.064 ± 0.002 Å |
| c | 12.437 ± 0.003 Å |
| α | 90° |
| β | 100.48 ± 0.03° |
| γ | 90° |
| Cell volume | 1572.8 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183042 (current) | 2016-05-20 | cif/ Adding structures of 7225289, 7225290, 7225291 via cif-deposit CGI script. |
7225290.cif |
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Users of the data should acknowledge the original authors of the
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