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Information card for entry 7207299
Preview
| Coordinates | 7207299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H7 N9 O2 |
|---|---|
| Calculated formula | C4 H7 N9 O2 |
| SMILES | O=N(=O)c1[n-]nnn1.n1(n[n+](N)cc1)C |
| Title of publication | Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole |
| Authors of publication | Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 2 |
| Pages of publication | 666 |
| a | 7.736 ± 0.007 Å |
| b | 9.684 ± 0.009 Å |
| c | 12.512 ± 0.011 Å |
| α | 100.163 ± 0.015° |
| β | 98.071 ± 0.011° |
| γ | 100.744 ± 0.009° |
| Cell volume | 891.8 ± 1.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207299.cif |
| 180403 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/72. |
7207299.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207299.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207299.cif |
| 33510 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207299, 7207300, 7207301 via cif-deposit CGI script. |
7207299.cif |
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Users of the data should acknowledge the original authors of the
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