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Information card for entry 7047311
Preview
| Coordinates | 7047311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H8 Cl2 N6 O |
|---|---|
| Calculated formula | C3 H8 Cl2 N6 O |
| Title of publication | 5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination. |
| Authors of publication | Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 38 |
| Pages of publication | 13391 - 13401 |
| a | 12.0906 ± 0.0003 Å |
| b | 4.707 ± 0.0001 Å |
| c | 14.6257 ± 0.0004 Å |
| α | 90° |
| β | 91.71 ± 0.001° |
| γ | 90° |
| Cell volume | 831.98 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047311.cif |
| 230025 | 2019-11-17 | cif/ Updating files of 7047309, 7047310, 7047311, 7047312, 7047313, 7047314 Original log message: Adding full bibliography for 7047309--7047314.cif. |
7047311.cif |
| 210010 | 2018-08-21 | cif/ Adding structures of 7047309, 7047310, 7047311, 7047312, 7047313, 7047314 via cif-deposit CGI script. |
7047311.cif |
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Users of the data should acknowledge the original authors of the
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