Crystallography Open Database

Information card for entry 7236363

Preview

Coordinates	7236363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 N15 O4
Calculated formula	C6 H9 N15 O4
Title of publication	Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts
Authors of publication	Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	4
Pages of publication	1769
a	6.2881 ± 0.0005 Å
b	9.3424 ± 0.0008 Å
c	11.2935 ± 0.0011 Å
α	87.455 ± 0.008°
β	79.856 ± 0.008°
γ	82.934 ± 0.007°
Cell volume	647.94 ± 0.1 Å³
Cell temperature	102.1 K
Ambient diffraction temperature	102.1 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	0.0586
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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