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Information card for entry 7231119
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Coordinates | 7231119.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-Nitro-1,2,4-triazole |
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Formula | C2 H2 N4 O2 |
Calculated formula | C2 H2 N4 O2 |
Title of publication | Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
Authors of publication | Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 43 |
Pages of publication | 24627 |
a | 6.8413 ± 0.0003 Å |
b | 6.8413 ± 0.0003 Å |
c | 18.8196 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 880.82 ± 0.08 Å3 |
Cell temperature | 101.8 K |
Ambient diffraction temperature | 101.8 K |
Number of distinct elements | 4 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231119.html
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structural data.