Crystallography Open Database

Information card for entry 2021974

2021973 << 2021974 >> 2021975

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Structure parameters

Chemical name	Tetraethylammonium tetrathiorhenate
Formula	C8 H20 N Re S4
Calculated formula	C8 H20 N Re S4
SMILES	[Re](=S)(=S)(=S)[S-].[N+](CC)(CC)(CC)CC
Title of publication	Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
Authors of publication	Bernhardt, Eduard; Herbst-Irmer, Regine
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	3
a	7.9 ± 0.002 Å
b	12.842 ± 0.003 Å
c	8.118 ± 0.002 Å
α	90°
β	119.04 ± 0.02°
γ	90°
Cell volume	720 ± 0.3 Å³
Cell temperature	149.9 ± 0.3 K
Ambient diffraction temperature	149.9 ± 0.3 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
247978 (current)	2020-02-08	cif/ hkl/ Adding structures of 2021972, 2021973, 2021974 via cif-deposit CGI script.	2021974.cif 2021974.hkl