Crystallography Open Database

Information card for entry 7249845

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Coordinates	7249845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 N11 O6
Calculated formula	C5 H7 N11 O6
Title of publication	Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.
Authors of publication	Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2025
a	11.8122 ± 0.0008 Å
b	7.2145 ± 0.0005 Å
c	13.9551 ± 0.0011 Å
α	90°
β	101.598 ± 0.003°
γ	90°
Cell volume	1164.96 ± 0.15 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0947
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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