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Information card for entry 7221187
Preview
Coordinates | 7221187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H8 N8 O |
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Calculated formula | C2 H8 N8 O |
SMILES | n1(nnnc1[O-])N.[NH2+]=C(N)N |
Title of publication | Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability |
Authors of publication | Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 74 |
Pages of publication | 60005 |
a | 12.7785 ± 0.0011 Å |
b | 6.41 ± 0.0006 Å |
c | 16.5787 ± 0.0015 Å |
α | 90° |
β | 93.303 ± 0.001° |
γ | 90° |
Cell volume | 1355.7 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.1169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 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/7221187.html
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Users of the data should acknowledge the original authors of the
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