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Information card for entry 7236067
Preview
| Coordinates | 7236067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H8 N10 O4 |
|---|---|
| Calculated formula | C3 H8 N10 O4 |
| Title of publication | Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials |
| Authors of publication | Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 28 |
| Pages of publication | 14768 |
| a | 6.553 ± 0.002 Å |
| b | 8.471 ± 0.003 Å |
| c | 9.078 ± 0.003 Å |
| α | 93.386 ± 0.005° |
| β | 91.224 ± 0.007° |
| γ | 98.007 ± 0.005° |
| Cell volume | 497.9 ± 0.3 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236067.cif |
| 233894 | 2019-11-23 | cif/ Adding structures of 7236065, 7236066, 7236067, 7236068, 7236069 via cif-deposit CGI script. |
7236067.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.