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Information card for entry 7222832
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| Coordinates | 7222832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 70352 |
|---|---|
| Formula | C14 H16 N4 O2 |
| Calculated formula | C14 H16 N4 O2 |
| Title of publication | Benzoquinone-imidazole hybrids as selective colorimetric sensors for cyanide in aqueous, solid and gas phases |
| Authors of publication | Elango, Kuppanagounder; Manivannan, R.; ciattini, samuele; Chelazzi, Laura |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 14.7426 ± 0.0013 Å |
| b | 9.9228 ± 0.0007 Å |
| c | 9.8994 ± 0.0007 Å |
| α | 90° |
| β | 92.03 ± 0.007° |
| γ | 90° |
| Cell volume | 1447.25 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1291 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 165334 (current) | 2015-10-10 | cif/ Adding structures of 7222832 via cif-deposit CGI script. |
7222832.cif |
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