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Information card for entry 7237231
Preview
| Coordinates | 7237231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | guanidinium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methanide hydrate |
|---|---|
| Formula | C4 H10 N8 O6 |
| Calculated formula | C4 H10 N8 O6 |
| Title of publication | Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials |
| Authors of publication | Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 45 |
| Pages of publication | 22705 |
| a | 4.94 ± 0.0003 Å |
| b | 7.5682 ± 0.0004 Å |
| c | 14.0353 ± 0.0007 Å |
| α | 77.659 ± 0.002° |
| β | 82.403 ± 0.002° |
| γ | 81.37 ± 0.002° |
| Cell volume | 504.08 ± 0.05 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237506 (current) | 2019-11-24 | cif/ Adding structures of 7237231, 7237232, 7237233 via cif-deposit CGI script. |
7237231.cif |
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Users of the data should acknowledge the original authors of the
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