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Information card for entry 7238823
Preview
| Coordinates | 7238823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H3 N5 O3 |
|---|---|
| Calculated formula | C4 H3 N5 O3 |
| Title of publication | 4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds |
| Authors of publication | He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | 2863 |
| a | 8.7709 ± 0.0012 Å |
| b | 5.7826 ± 0.0008 Å |
| c | 13.318 ± 0.0018 Å |
| α | 90° |
| β | 98.504 ± 0.006° |
| γ | 90° |
| Cell volume | 668.04 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244387 (current) | 2019-11-28 | cif/ Adding structures of 7238823, 7238824 via cif-deposit CGI script. |
7238823.cif |
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Users of the data should acknowledge the original authors of the
structural data.