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Information card for entry 7226612
Preview
| Coordinates | 7226612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Cl N O2 S |
|---|---|
| Calculated formula | C16 H12 Cl N O2 S |
| SMILES | ClC1=C(NCCc2sccc2)C(=O)c2c(C1=O)cccc2 |
| Title of publication | Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes ‒ effect of complex formation on sensing behaviour |
| Authors of publication | Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 94 |
| Pages of publication | 91265 |
| a | 23.6442 ± 0.0012 Å |
| b | 4.2788 ± 0.0002 Å |
| c | 14.2732 ± 0.0007 Å |
| α | 90° |
| β | 90.614 ± 0.004° |
| γ | 90° |
| Cell volume | 1443.92 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186764 (current) | 2016-09-24 | cif/ Adding structures of 7226612 via cif-deposit CGI script. |
7226612.cif |
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Users of the data should acknowledge the original authors of the
structural data.