Crystallography Open Database

Information card for entry 1515349

Preview

Coordinates	1515349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 F12 N6 O8 S4
Calculated formula	C40 H58.5 F12 N6 O8 S4
SMILES	O=S(C(F)(F)F)(N=S(C(F)(F)F)(=O)[O-])=O.O=S(C(F)(F)F)(N=S(C(F)(F)F)(=O)[O-])=O.CCCCCCCCCCCCn1cc[n+](c1)c1ccc(cc1)[n+]1ccn(c1)CCCCCCCCCCCC
Title of publication	Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts
Authors of publication	Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	42
Pages of publication	10914
a	5.8926 ± 0.0001 Å
b	17.4576 ± 0.0005 Å
c	25.4302 ± 0.0007 Å
α	79 ± 0.001°
β	89.243 ± 0.001°
γ	81.121 ± 0.001°
Cell volume	2536.83 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1116
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.4059
Weighted residual factors for all reflections included in the refinement	0.4209
Goodness-of-fit parameter for all reflections included in the refinement	1.952
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515349.cif
111147	2014-04-20	cif/ Adding structures of 1515348, 1515349 via cif-deposit CGI script.	1515349.cif