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Information card for entry 7707290
Preview
| Coordinates | 7707290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H15 N11 O15 |
|---|---|
| Calculated formula | C15 H15 N11 O15 |
| SMILES | [O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O.N([NH3+])c1[nH][nH+]c(N)c1 |
| Title of publication | Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole. |
| Authors of publication | Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 21 |
| Pages of publication | 7456 - 7463 |
| a | 7.8469 ± 0.0016 Å |
| b | 12.05 ± 0.002 Å |
| c | 12.748 ± 0.003 Å |
| α | 73 ± 0.03° |
| β | 83.11 ± 0.03° |
| γ | 76.27 ± 0.03° |
| Cell volume | 1118.1 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7707290.cif |
| 266104 | 2021-06-05 | cif/ Updating files of 7707286, 7707287, 7707288, 7707289, 7707290 Original log message: Adding full bibliography for 7707286--7707290.cif. |
7707290.cif |
| 264744 | 2021-05-01 | cif/ Adding structures of 7707286, 7707287, 7707288, 7707289, 7707290 via cif-deposit CGI script. |
7707290.cif |
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Users of the data should acknowledge the original authors of the
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