Crystallography Open Database

Information card for entry 7235858

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Coordinates	7235858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 F3 N4 O7 S
Calculated formula	C3 H5 F3 N4 O7 S
Title of publication	1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids
Authors of publication	Vo, Thao T.; Shreeve, Jean'ne M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2015
Journal volume	3
Journal issue	16
Pages of publication	8756
a	7.5409 ± 0.0004 Å
b	11.4812 ± 0.0006 Å
c	12.3048 ± 0.0006 Å
α	90°
β	106.802 ± 0.001°
γ	90°
Cell volume	1019.85 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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