Crystallography Open Database

Information card for entry 2311789

Preview

Coordinates	2311789.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tren-SnS-1
Formula	S28 Sn12
Calculated formula	S28 Sn12
Title of publication	The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.
Authors of publication	Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	931 - 940
a	13.2748 ± 0.0004 Å
b	13.2748 ± 0.0004 Å
c	19.1521 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2922.83 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	2
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.2148
Weighted residual factors for all reflections included in the refinement	0.2266
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
246106 (current)	2019-12-26	cif/ Adding structures of 2311789, 2311790, 2311791 via cif-deposit CGI script.	2311789.cif