Crystallography Open Database

Information card for entry 7236384

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Coordinates	7236384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 N6 O8
Calculated formula	C5 H6 N6 O8
Title of publication	1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials
Authors of publication	Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	45
Pages of publication	17791
a	10.821 ± 0.002 Å
b	8.82 ± 0.0018 Å
c	11.286 ± 0.002 Å
α	90°
β	93.44 ± 0.03°
γ	90°
Cell volume	1075.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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