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Information card for entry 2021761
Preview
| Coordinates | 2021761.cif |
|---|---|
| Structure factors | 2021761.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-{3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole |
|---|---|
| Formula | C22 H15 N5 O2 |
| Calculated formula | C22 H15 N5 O2 |
| Title of publication | Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings |
| Authors of publication | Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 10 |
| a | 7.7222 ± 0.0003 Å |
| b | 11.5401 ± 0.0005 Å |
| c | 20.416 ± 0.0008 Å |
| α | 90° |
| β | 95.965 ± 0.004° |
| γ | 90° |
| Cell volume | 1809.52 ± 0.13 Å3 |
| Cell temperature | 295.54 ± 0.1 K |
| Ambient diffraction temperature | 295.54 ± 0.1 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 | 0.1003 |
| Residual factor for significantly intense reflections | 0.0824 |
| Weighted residual factors for significantly intense reflections | 0.2132 |
| Weighted residual factors for all reflections included in the refinement | 0.2385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218064 (current) | 2019-09-07 | cif/ hkl/ Adding structures of 2021761, 2021762, 2021763 via cif-deposit CGI script. |
2021761.cif 2021761.hkl |
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Users of the data should acknowledge the original authors of the
structural data.