Crystallography Open Database

Information card for entry 7234069

Preview

Coordinates	7234069.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	16.4227 ± 0.0011 Å
b	8.4972 ± 0.0006 Å
c	12.8688 ± 0.0009 Å
α	90°
β	108.493 ± 0.001°
γ	90°
Cell volume	1703.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0368
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
218724 (current)	2019-09-23	cif/ Adding structures of 7234069 via cif-deposit CGI script.	7234069.cif