Crystallography Open Database

Information card for entry 4513626

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Structure parameters

Formula	C16 H14 F12 N4 O8 S4
Calculated formula	C16 H14 F12 N4 O8 S4
SMILES	S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F.[n+]1(ccc(cc1)c1cc[n+](cc1)C)C
Title of publication	A Dialkyl Viologen Ionic Liquid: X-ray Crystal Structure Analysis of Bis(trifluoromethanesulfonyl)imide Salts
Authors of publication	Tahara, Hironobu; Furue, Yutaro; Suenaga, Chie; Sagara, Takamasa
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	4735
a	9.049 ± 0.003 Å
b	11.126 ± 0.003 Å
c	14.542 ± 0.003 Å
α	67.951 ± 0.01°
β	77.3 ± 0.013°
γ	81.602 ± 0.013°
Cell volume	1320.5 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4513626.cif
170037	2015-11-06	cif/ Updating files of 4513626, 4513627 Original log message: Adding full bibliography for 4513626--4513627.cif.	4513626.cif
158253	2015-09-24	cif/ Adding structures of 4513626 via cif-deposit CGI script.	4513626.cif