Crystallography Open Database

Information card for entry 4134881

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Coordinates	4134881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13 F6 N3 O4 S2
Calculated formula	C8 H13 F6 N3 O4 S2
Title of publication	Bistable State of Protons for Low-Voltage Memories.
Authors of publication	Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	12.5 ± 0.005 Å
b	16.911 ± 0.007 Å
c	15.921 ± 0.007 Å
α	90°
β	112.905 ± 0.005°
γ	90°
Cell volume	3100 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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