Crystallography Open Database

Information card for entry 4306379

Preview

Coordinates	4306379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 F6 N2 O7 S2
Calculated formula	C11 H18 F6 N2 O7 S2
SMILES	C1COCC[N+]1(CC(=O)OCC)C.C(F)(F)(F)S(=O)(=O)N=S(=O)([O-])C(F)(F)F
Title of publication	Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides
Authors of publication	Peter Nockemann; Ben Thijs; Tatjana N. Parac-Vogt; Kristof Van Hecke; Luc Van Meervelt; Bernard Tinant; Ingo Hartenbach; Thomas Schleid; Vu Thi Ngan; Minh Tho Nguyen; Koen Binnemans
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9987 - 9999
a	13.0236 ± 0.0008 Å
b	8.5641 ± 0.0007 Å
c	17.3436 ± 0.0012 Å
α	90°
β	110.307 ± 0.003°
γ	90°
Cell volume	1814.2 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179101 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/63.	4306379.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306379.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306379.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306379.cif