Crystallography Open Database

Information card for entry 7240486

Preview

Coordinates	7240486.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[4-(3-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide
Formula	C32 H23 F7 N O5 P S2
Calculated formula	C32 H23 F7 N O5 P S2
Title of publication	Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.
Authors of publication	Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	21
Pages of publication	12301 - 12311
a	18.0534 ± 0.0013 Å
b	19.0695 ± 0.0014 Å
c	20.2712 ± 0.0015 Å
α	90°
β	114.239 ± 0.003°
γ	90°
Cell volume	6363.5 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253999 (current)	2020-07-06	cif/ Updating files of 7240483, 7240484, 7240485, 7240486 Original log message: Adding full bibliography for 7240483--7240486.cif.	7240486.cif
251886	2020-05-07	cif/ Adding structures of 7240483, 7240484, 7240485, 7240486 via cif-deposit CGI script.	7240486.cif