Crystallography Open Database

Information card for entry 7048395

Preview

Coordinates	7048395.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Me4N)2(Fe4S4(SMe)4)
Formula	C12 H36 Fe4 N2 S8
Calculated formula	C12 H36 Fe4 N2 S8
Title of publication	Energy storage inspired by nature - ionic liquid iron-sulfur clusters as electrolytes for redox flow batteries.
Authors of publication	Modrzynski, Christian; Burger, Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	1941 - 1946
a	10.8738 ± 0.0006 Å
b	18.0751 ± 0.001 Å
c	14.0504 ± 0.0008 Å
α	90°
β	97.333 ± 0.001°
γ	90°
Cell volume	2738.9 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0172
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
224165 (current)	2019-11-08	cif/ Updating files of 7048395, 7048396 Original log message: Adding full bibliography for 7048395--7048396.cif.	7048395.cif
212700	2018-12-21	cif/ Adding structures of 7048395, 7048396 via cif-deposit CGI script.	7048395.cif