Crystallography Open Database

Information card for entry 7234066

Preview

Coordinates	7234066.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ET)2I3
Formula	C20 H16 I3 S16
Calculated formula	C20 H16 I3 S16
Title of publication	Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator
Authors of publication	Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1378 - 1388
a	16.2944 ± 0.001 Å
b	8.4439 ± 0.0005 Å
c	12.7917 ± 0.0008 Å
α	90°
β	108.93 ± 0.001°
γ	90°
Cell volume	1664.8 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0165
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
218721 (current)	2019-09-23	cif/ Adding structures of 7234066 via cif-deposit CGI script.	7234066.cif