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Information card for entry 7236579
Preview
| Coordinates | 7236579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 N6 O6 |
|---|---|
| Calculated formula | C4 H4 N6 O6 |
| Title of publication | 3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability |
| Authors of publication | Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 10437 |
| a | 6.7081 ± 0.0002 Å |
| b | 13.8115 ± 0.0005 Å |
| c | 9.3931 ± 0.0003 Å |
| α | 90° |
| β | 99.282 ± 0.002° |
| γ | 90° |
| Cell volume | 858.87 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236322 (current) | 2019-11-24 | cif/ Adding structures of 7236578, 7236579 via cif-deposit CGI script. |
7236579.cif |
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Users of the data should acknowledge the original authors of the
structural data.