Crystallography Open Database

Information card for entry 8104848

Preview

Coordinates	8104848.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trimethylsulfonium tris((trifluoromethyl)sulfonyl)methanide
Formula	C7 H9 F9 O6 S4
Calculated formula	C7 H9 F9 O6 S4
SMILES	C(S(=O)(=O)C(=S([O-])(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(F)(F)F.C[S+](C)C
Title of publication	The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4
Authors of publication	Wirthensohn, Raphael; Finze, Maik
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	417 - 419
a	8.8018 ± 0.0001 Å
b	10.9658 ± 0.0001 Å
c	16.9136 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1632.48 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273931 (current)	2022-03-23	cif/ Adding structures of 8104848 via cif-deposit CGI script.	8104848.cif