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Information card for entry 7224821
Preview
| Coordinates | 7224821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 Cl2 N2 S Zn |
|---|---|
| Calculated formula | C20 H12 Cl2 N2 S Zn |
| SMILES | [Zn]1(Cl)(Cl)[n]2c3c4ccccc4ccc3sc2c2[n]1c1c(cccc1)cc2 |
| Title of publication | Naphthothiazole-Based Highly Selective and Sensitive Fluorescent and Colorimetric Chemosensor for Detection of Pollutant Metal Ions |
| Authors of publication | Zareh Jonaghani, Mohammad; Zali Boeini, Hassan; Taheri, Reza; Amiri Rudbari, Hadi; Askari, Banafshe |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.626 ± 0.0015 Å |
| b | 14.043 ± 0.003 Å |
| c | 16.787 ± 0.003 Å |
| α | 90° |
| β | 98.269 ± 0.003° |
| γ | 90° |
| Cell volume | 1779.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0803 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181510 (current) | 2016-04-05 | cif/ Adding structures of 7224821 via cif-deposit CGI script. |
7224821.cif |
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