Crystallography Open Database

Information card for entry 7234059

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Coordinates	7234059.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	12.9653 ± 0.0013 Å
b	30.028 ± 0.003 Å
c	8.5444 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3326.5 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0548
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
218714 (current)	2019-09-23	cif/ Adding structures of 7234059 via cif-deposit CGI script.	7234059.cif