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Information card for entry 2023263
Preview
| Coordinates | 2023263.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,3,5-Triphenyltetrazol-3-ium chloride hemipentahydrate |
|---|---|
| Formula | C19 H20 Cl N4 O2.5 |
| Calculated formula | C19 H20 Cl N4 O2.5 |
| Title of publication | Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate |
| Authors of publication | Uppu, Rao M.; Chikkula, Krishnaveni; Saneei, Soheil; Babu, Sainath; Fronczek, Frank R. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| Pages of publication | 1097 - 1100 |
| a | 9.5599 ± 0.0004 Å |
| b | 11.8056 ± 0.0005 Å |
| c | 17.5322 ± 0.0007 Å |
| α | 94.808 ± 0.002° |
| β | 104.562 ± 0.002° |
| γ | 95.408 ± 0.002° |
| Cell volume | 1894.7 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294950 (current) | 2024-10-01 | cif/ Adding structures of 2023263 via cif-deposit CGI script. |
2023263.cif |
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Users of the data should acknowledge the original authors of the
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