Crystallography Open Database

Information card for entry 1505755

Preview

Coordinates	1505755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 F6 N2 O6 S2
Calculated formula	C7 H12 F6 N2 O6 S2
SMILES	C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(=O)(C[N+](C)(C)C)O
Title of publication	Task-specific ionic liquid for solubilizing metal oxides.
Authors of publication	Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	42
Pages of publication	20978 - 20992
a	23.4721 ± 0.0008 Å
b	10.2027 ± 0.0004 Å
c	25.5957 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6129.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
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.	1505755.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505755.cif
47704	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505755 via cif-deposit CGI script.	1505755.cif