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Information card for entry 7250103
Preview
| Coordinates | 7250103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 N7 O3 |
|---|---|
| Calculated formula | C3 H5 N7 O3 |
| SMILES | c1(c2n[nH+]c(N)o2)n(nnn1)[O-].O |
| Title of publication | Constructing energetic hydroxytetrazole with high thermal stability by connecting aminotriazole onto 1-hydroxytetrazole |
| Authors of publication | Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 7.2861 ± 0.0005 Å |
| b | 5.9922 ± 0.0004 Å |
| c | 8.2491 ± 0.0006 Å |
| α | 90° |
| β | 97.669 ± 0.002° |
| γ | 90° |
| Cell volume | 356.93 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298426 (current) | 2025-03-14 | cif/ Adding structures of 7250102, 7250103, 7250104, 7250105, 7250106, 7250107 via cif-deposit CGI script. |
7250103.cif |
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Users of the data should acknowledge the original authors of the
structural data.