Crystallography Open Database

Information card for entry 1505756

Preview

Coordinates	1505756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H47 F18 N7 O20 S6
Calculated formula	C26 H47 F18 N7 O20 S6
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	8.2731 ± 0.0006 Å
b	13.0086 ± 0.001 Å
c	24.9865 ± 0.0018 Å
α	90°
β	95.181 ± 0.003°
γ	90°
Cell volume	2678.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1029
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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.	1505756.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505756.cif
47705	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505756 via cif-deposit CGI script.	1505756.cif