Crystallography Open Database

Information card for entry 1518554

Preview

Coordinates	1518554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 F6 K N O10 S2
Calculated formula	C14 H24 F6 K N2 O10 S2
Title of publication	Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.
Authors of publication	Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Journal of publication	The journal of physical chemistry. B
Year of publication	2015
Journal volume	119
Journal issue	4
Pages of publication	1523 - 1534
a	8.7544 ± 0.0011 Å
b	8.9026 ± 0.0013 Å
c	9.1253 ± 0.0017 Å
α	113.587 ± 0.005°
β	95.75 ± 0.006°
γ	106.568 ± 0.0011°
Cell volume	605.85 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	1518554.cif
130756	2015-02-04	cif/ Updating files of 1518551, 1518552, 1518553, 1518554, 1518555, 1518556 Original log message: Adding full bibliography for 1518551--1518556.cif.	1518554.cif
129922	2015-01-17	cif/ Adding structures of 1518551, 1518552, 1518553, 1518554, 1518555, 1518556 via cif-deposit CGI script.	1518554.cif