Crystallography Open Database

Information card for entry 7244719

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Coordinates	7244719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 N8 O10
Calculated formula	C9 H6 N8 O10
Title of publication	Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers
Authors of publication	Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen
Journal of publication	CrystEngComm
Year of publication	2022
a	6.7852 ± 0.0017 Å
b	11.054 ± 0.003 Å
c	20.043 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1503.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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