Crystallography Open Database

Information card for entry 7234057

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Coordinates	7234057.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ET)2Cu[N(CN)2]Br
Formula	C22 H16 Br Cu N3 S16
Calculated formula	C22 H16 Br Cu N3 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	12.9117 ± 0.0012 Å
b	29.845 ± 0.003 Å
c	8.5178 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3282.3 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
218712 (current)	2019-09-23	cif/ Adding structures of 7234057 via cif-deposit CGI script.	7234057.cif