Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207300
Preview
| Coordinates | 7207300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 N18 |
|---|---|
| Calculated formula | C8 H14 N18 |
| SMILES | c1([n-]nnn1)/N=N/c1[n-]nnn1.c1cn(C)n[n+]1N.c1cn(C)n[n+]1N |
| 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 | 5.681 ± 0.0016 Å |
| b | 7.222 ± 0.002 Å |
| c | 19.096 ± 0.006 Å |
| α | 90° |
| β | 97.778 ± 0.004° |
| γ | 90° |
| Cell volume | 776.3 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7207300.cif |
| 180404 | 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 7/20/73. |
7207300.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207300.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207300.cif |
| 33510 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207299, 7207300, 7207301 via cif-deposit CGI script. |
7207300.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.