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Information card for entry 7040877
Preview
Coordinates | 7040877.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H11 N15 O6 |
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Calculated formula | C6 H11 N15 O6 |
SMILES | O=N(=O)c1nc(n(n1)c1c(n[n-]c1N(=O)=O)N(=O)=O)N.[NH+](N)=C(NN)NN |
Title of publication | 1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance. |
Authors of publication | Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17956 - 17965 |
a | 7.3978 ± 0.0006 Å |
b | 10.4201 ± 0.0008 Å |
c | 10.9154 ± 0.0007 Å |
α | 112.439 ± 0.007° |
β | 95.97 ± 0.006° |
γ | 99.09 ± 0.006° |
Cell volume | 755.4 ± 0.11 Å3 |
Cell temperature | 104.4 K |
Ambient diffraction temperature | 104.4 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 | 0.0512 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7040877.html
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Users of the data should acknowledge the original authors of the
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