Crystallography Open Database

Information card for entry 7111559

Preview

Coordinates	7111559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 F18 N4 Na O6
Calculated formula	C31 H33 F18.003 N4 Na O6
SMILES	[n+]1(C)cn(cc1)CCCC.O1C(=CC(=[O][Na]123(OC(C(F)(F)F)=CC(=[O]2)C(F)(F)F)O(C(F)(F)F)C=CC(=[O]3)C(F)(F)F)C(F)(F)F)C(F)(F)F.Cn1c[n+](CCCC)cc1
Title of publication	Hydrophobic ionic liquids with strongly coordinating anions
Authors of publication	Mehdi, Hasan; Binnemans, Koen; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	2
Pages of publication	234 - 236
a	11.6351 ± 0.0005 Å
b	16.6309 ± 0.0007 Å
c	20.5944 ± 0.001 Å
α	90°
β	103.07 ± 0.002°
γ	90°
Cell volume	3881.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0526
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111559.cif
96661	2014-01-29	cif/ Adding structures of 7111556, 7111557, 7111558, 7111559, 7111560 via cif-deposit CGI script.	7111559.cif