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Information card for entry 4107197
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Coordinates | 4107197.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,2,4-triazole-3,5-diamine (E)-1,2-bis(3-(trinitromethyl)-1H-1,2,4- triazol-5-yl)diazene methanol hydrate |
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Formula | C6 H11 N12 O8 |
Calculated formula | C6 H11 N12 O8 |
Title of publication | Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5'-Bis(trinitromethyl)-3,3'-azo-1H-1,2,4-triazole |
Authors of publication | Venugopal Thottempudi; Jean'ne M. Shreeve |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 19982 - 19992 |
a | 6.041 ± 0.01 Å |
b | 8.879 ± 0.014 Å |
c | 14.65 ± 0.02 Å |
α | 77.063 ± 0.019° |
β | 79.437 ± 0.019° |
γ | 85.652 ± 0.018° |
Cell volume | 752 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1698 |
Residual factor for significantly intense reflections | 0.075 |
Weighted residual factors for significantly intense reflections | 0.1749 |
Weighted residual factors for all reflections included in the refinement | 0.2242 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/4107197.html
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