Crystallography Open Database

Information card for entry 7250586

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Coordinates	7250586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N6 O4
Calculated formula	C4 H8 N6 O4
Title of publication	Constructing high-performance and insensitive energetic salts through increased hydrogen bonds
Authors of publication	Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	29
Pages of publication	4976 - 4984
a	9.9288 ± 0.0004 Å
b	6.5054 ± 0.0003 Å
c	24.75 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1598.62 ± 0.12 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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