Crystallography Open Database

Information card for entry 7220232

7220231 << 7220232 >> 7220233

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Structure parameters

Formula	C11 H18 F6 N4 O4 S2
Calculated formula	C11 H18 F6 N4 O4 S2
SMILES	S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.C1(=C(C1=[N+](C)C)N(C)C)N(C)C
Title of publication	Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids
Authors of publication	Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John
Journal of publication	RSC Adv.
Year of publication	2015
a	20.8556 ± 0.0005 Å
b	14.7302 ± 0.0004 Å
c	18.677 ± 0.0005 Å
α	90°
β	101.824 ± 0.002°
γ	90°
Cell volume	5616 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220232.cif
135772	2015-05-08	cif/ Adding structures of 7220231, 7220232 via cif-deposit CGI script.	7220232.cif