Crystallography Open Database

Information card for entry 7249849

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Coordinates	7249849.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	6.8428 ± 0.0006 Å
b	7.1911 ± 0.0006 Å
c	12.0118 ± 0.0009 Å
α	90.107 ± 0.003°
β	101.634 ± 0.003°
γ	92.125 ± 0.003°
Cell volume	578.5 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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