Crystallography Open Database

Information card for entry 7246167

Preview

Coordinates	7246167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 B F3 N P
Calculated formula	C26 H22 B F3 N P
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.F[B](F)(F)C#N
Title of publication	Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.
Authors of publication	Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	5037 - 5048
a	10.1902 ± 0.0001 Å
b	13.3195 ± 0.0001 Å
c	18.9127 ± 0.0002 Å
α	70.363 ± 0.001°
β	83.801 ± 0.001°
γ	69.417 ± 0.001°
Cell volume	2263.21 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0424
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
283499 (current)	2023-05-05	cif/ Updating files of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 Original log message: Adding full bibliography for 7246167--7246175.cif.	7246167.cif
280454	2023-01-20	cif/ Adding structures of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 via cif-deposit CGI script.	7246167.cif