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Information card for entry 7236063
Preview
| Coordinates | 7236063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | YP-034 |
|---|---|
| Formula | C3 H6.78 Br0.78 N8 |
| Calculated formula | C3 H6.7833 Br0.7833 N8 |
| Title of publication | Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation |
| Authors of publication | Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 16 |
| Pages of publication | 8606 |
| a | 6.33 ± 0.004 Å |
| b | 6.711 ± 0.004 Å |
| c | 9.034 ± 0.006 Å |
| α | 95.533 ± 0.008° |
| β | 90.022 ± 0.007° |
| γ | 90.076 ± 0.008° |
| Cell volume | 382 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233891 (current) | 2019-11-23 | cif/ Adding structures of 7236061, 7236062, 7236063 via cif-deposit CGI script. |
7236063.cif |
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