Crystallography Open Database

Information card for entry 7060308

Preview

Coordinates	7060308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 F7 N2 O6 S3
Calculated formula	C9 H9 F7 N2 O6 S3
Title of publication	Molecular design principles of ionic liquids with a sulfonyl fluoride moiety
Authors of publication	Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	5
Pages of publication	2443 - 2452
a	12.029 ± 0.003 Å
b	15.417 ± 0.003 Å
c	19.656 ± 0.006 Å
α	66.957 ± 0.013°
β	88.617 ± 0.016°
γ	86.55 ± 0.02°
Cell volume	3348.3 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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