Crystallography Open Database

Information card for entry 7206769

7206768 << 7206769 >> 7206770

Preview

Coordinates	7206769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 F6 N2 O4 S2
Calculated formula	C15 H28 F6 N2 O4 S2
Title of publication	Azepanium ionic liquids
Authors of publication	Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Nockemann, Peter; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith
Journal of publication	Green Chemistry
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3137
a	9.7447 ± 0.0015 Å
b	10.72 ± 0.002 Å
c	21.453 ± 0.004 Å
α	90°
β	101.948 ± 0.01°
γ	90°
Cell volume	2192.5 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.0851
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180398 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67.	7206769.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206769.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206769.cif
30078	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206768, 7206769 via cif-deposit CGI script.	7206769.cif