Crystallography Open Database

Information card for entry 7232841

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Coordinates	7232841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 F6 N4 O4 S2
Calculated formula	C9 H18 F6 N4 O4 S2
Title of publication	Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties
Authors of publication	Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2019
a	7.9127 ± 0.0008 Å
b	8.1869 ± 0.0008 Å
c	8.5091 ± 0.0008 Å
α	88.249 ± 0.008°
β	63.336 ± 0.01°
γ	73.529 ± 0.008°
Cell volume	469.37 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0898
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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