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Information card for entry 7221184
Preview
| Coordinates | 7221184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H9 N9 O |
|---|---|
| Calculated formula | C2 H9 N9 O |
| SMILES | C(=[NH2+])(N)NN.n1n(c([O-])nn1)N |
| Title of publication | Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability |
| Authors of publication | Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 74 |
| Pages of publication | 60005 |
| a | 8.5361 ± 0.0004 Å |
| b | 6.5988 ± 0.0003 Å |
| c | 13.2935 ± 0.0007 Å |
| α | 90° |
| β | 103.374 ± 0.001° |
| γ | 90° |
| Cell volume | 728.49 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7221184.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7221184.cif |
| 144575 | 2015-07-11 | cif/ Adding structures of 7221184, 7221185, 7221186, 7221187, 7221188, 7221189, 7221190 via cif-deposit CGI script. |
7221184.cif |
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Users of the data should acknowledge the original authors of the
structural data.