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Information card for entry 7041111
Preview
Coordinates | 7041111.cif |
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Original paper (by DOI) | HTML |
Formula | C2 H6 N10 O2 |
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Calculated formula | C2 H6 N10 O2 |
SMILES | n1(nnnc1c1n(nnn1)[O-])[O-].[NH3+][NH3+] |
Title of publication | Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. |
Authors of publication | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 47 |
Pages of publication | 19045 - 19052 |
a | 4.751 ± 0.0003 Å |
b | 5.9102 ± 0.0004 Å |
c | 6.7024 ± 0.0005 Å |
α | 98.682 ± 0.001° |
β | 90.702 ± 0.001° |
γ | 109.077 ± 0.002° |
Cell volume | 175.44 ± 0.02 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1369 |
Weighted residual factors for all reflections included in the refinement | 0.1401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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