Crystallography Open Database

Information card for entry 2311790

Preview

Coordinates	2311790.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1AEP-SnS-1
Formula	C14 H26 N4 S7 Sn3
Calculated formula	C14 H26 N4 S7 Sn3
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	13.2299 ± 0.0002 Å
b	22.2673 ± 0.0003 Å
c	9.0772 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2674.09 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2311790.cif