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Information card for entry 7061192
Preview
| Coordinates | 7061192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H2 K2 N8 O2 |
|---|---|
| Calculated formula | C3 H2 K2 N8 O2 |
| Title of publication | Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition |
| Authors of publication | Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 9 |
| Pages of publication | 4462 - 4469 |
| a | 7.1376 ± 0.0014 Å |
| b | 17.029 ± 0.003 Å |
| c | 7.6232 ± 0.0015 Å |
| α | 90° |
| β | 111.38 ± 0.03° |
| γ | 90° |
| Cell volume | 862.8 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273402 (current) | 2022-03-05 | cif/ Updating files of 7061189, 7061190, 7061191, 7061192, 7061193, 7061194 Original log message: Adding full bibliography for 7061189--7061194.cif. |
7061192.cif |
| 272015 | 2022-01-13 | cif/ Adding structures of 7061189, 7061190, 7061191, 7061192, 7061193, 7061194 via cif-deposit CGI script. |
7061192.cif |
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Users of the data should acknowledge the original authors of the
structural data.