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Information card for entry 7249849
Preview
| Coordinates | 7249849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H7 N11 O6 |
|---|---|
| Calculated formula | C5 H7 N11 O6 |
| Title of publication | Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. |
| Authors of publication | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2025 |
| a | 6.8428 ± 0.0006 Å |
| b | 7.1911 ± 0.0006 Å |
| c | 12.0118 ± 0.0009 Å |
| α | 90.107 ± 0.003° |
| β | 101.634 ± 0.003° |
| γ | 92.125 ± 0.003° |
| Cell volume | 578.5 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297497 (current) | 2025-01-28 | cif/ Adding structures of 7249845, 7249846, 7249847, 7249848, 7249849 via cif-deposit CGI script. |
7249849.cif |
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Users of the data should acknowledge the original authors of the
structural data.