Crystallography Open Database

Information card for entry 1542266

Preview

Coordinates	1542266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 F12 Mg N2 O13 S4
Calculated formula	C14 H22 F12 Mg N2 O13 S4
SMILES	C[O]1CC[O]2CC[O]3CC[O]4CC[O](C)[Mg]1234(OS(C(F)(F)F)(=NS(=O)(=O)C(F)(F)F)=O)OS(C(F)(F)F)(=NS(=O)(=O)C(F)(F)F)=O
Title of publication	Thermal and Electrochemical Stability of Tetraglyme‒Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability
Authors of publication	Terada, Shoshi; Mandai, Toshihiko; Suzuki, Soma; Tsuzuki, Seiji; Watanabe, Katsuya; Kamei, Yutaro; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2016
Journal volume	120
Journal issue	3
Pages of publication	1353
a	10.1949 ± 0.0008 Å
b	8.4085 ± 0.0007 Å
c	35.446 ± 0.003 Å
α	90°
β	96.69 ± 0.0011°
γ	90°
Cell volume	3017.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175801 (current)	2016-02-04	cif/ Updating files of 1542266 Original log message: Adding full bibliography for 1542266.cif.	1542266.cif
174428	2016-01-14	cif/ Adding structures of 1542266 via cif-deposit CGI script.	1542266.cif