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Information card for entry 7062915
Preview
Coordinates | 7062915.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Diammonium 6-nitroamino-3-nitroimino-8-oxo-7,8-dihydro-[1,2,4]triazolo[3,4-f][1,2,4]triazine |
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Formula | C4 H11 N11 O6 |
Calculated formula | C4 H11 N11 O6 |
Title of publication | Towards improved comprehensive energetic properties by skeleton modification |
Authors of publication | Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
Journal volume | 48 |
Journal issue | 3 |
Pages of publication | 1067 - 1070 |
a | 8.1297 ± 0.001 Å |
b | 8.7667 ± 0.0011 Å |
c | 16.667 ± 0.002 Å |
α | 89.131 ± 0.004° |
β | 87.895 ± 0.004° |
γ | 75.168 ± 0.004° |
Cell volume | 1147.5 ± 0.2 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 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 | 0.1423 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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