Crystallography Open Database

Information card for entry 7062954

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Coordinates	7062954.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NEt4ACPFSA
Formula	C12 H20 F6 N2 O4 S2
Calculated formula	C12 H20 F6 N2 O4 S2
Title of publication	Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor
Authors of publication	Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	5
Pages of publication	2219 - 2225
a	23.447 ± 0.006 Å
b	10.992 ± 0.003 Å
c	17.992 ± 0.007 Å
α	90°
β	127.576 ± 0.003°
γ	90°
Cell volume	3675 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.0978
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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