Crystallography Open Database

Information card for entry 7124843

Preview

Coordinates	7124843.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,3,5-tris(3-(2,3,4,5-tetrafluorobenzyl)-imidazolium-1-methyl)-2,4,6-trimethylbenzene chloride bis(hexafluorophosphate) acetonitrilesolvate
Formula	C44 H36 Cl F24 N7 P2
Calculated formula	C44 H36 Cl F24 N7 P2
Title of publication	Chloride-binding in organic-water mixtures: the powerful synergy of C-H donor groups within a bowl-shaped cavity.
Authors of publication	Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Legnani, Laura; Presti, Eliana Lo; Miljkovic, Ana; Monzani, Enrico; Pancotti, Francesca
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	72
Pages of publication	10910 - 10913
a	12.175 ± 0.004 Å
b	12.483 ± 0.005 Å
c	18.276 ± 0.005 Å
α	75.34 ± 0.03°
β	78.55 ± 0.02°
γ	71.31 ± 0.02°
Cell volume	2524.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1804
Residual factor for significantly intense reflections	0.1227
Weighted residual factors for significantly intense reflections	0.2647
Weighted residual factors for all reflections included in the refinement	0.3054
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234276 (current)	2019-11-23	cif/ Adding structures of 7124843, 7124844 via cif-deposit CGI script.	7124843.cif