Crystallography Open Database

Information card for entry 7235855

Preview

Coordinates	7235855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cl2 N14 O14
Calculated formula	C9 H8 Cl2 N14 O14
Title of publication	A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance
Authors of publication	Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
Journal of publication	Journal of Materials Chemistry A
Year of publication	2015
Journal volume	3
Journal issue	15
Pages of publication	8156
a	17.826 ± 0.004 Å
b	12.307 ± 0.003 Å
c	10.724 ± 0.002 Å
α	90°
β	108.339 ± 0.005°
γ	90°
Cell volume	2233.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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