Crystallography Open Database

Information card for entry 7236144

Preview

Coordinates	7236144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 N5 O3
Calculated formula	C3 H7 N5 O3
Title of publication	Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials
Authors of publication	Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	13
Pages of publication	4971
a	9.4591 ± 0.0015 Å
b	6.7214 ± 0.001 Å
c	9.6711 ± 0.0015 Å
α	90°
β	101.349 ± 0.003°
γ	90°
Cell volume	602.85 ± 0.16 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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