Crystallography Open Database

Information card for entry 7234495

Preview

Coordinates	7234495.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(TSF)3[(Mo6Cl14)Cl]
Formula	C18 H12 Cl15 Mo6 Se12
Calculated formula	C18 H12 Cl15 Mo6 Se12
Title of publication	Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]
Authors of publication	Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	11046 - 11054
a	10.8505 ± 0.0005 Å
b	10.8505 ± 0.0005 Å
c	10.8505 ± 0.0005 Å
α	102.632 ± 0.0002°
β	102.632 ± 0.0002°
γ	102.632 ± 0.0002°
Cell volume	1167.76 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0295
Weighted residual factors for all reflections included in the refinement	0.0299
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
219196 (current)	2019-10-09	cif/ Adding structures of 7234491, 7234492, 7234493, 7234494, 7234495, 7234496, 7234497, 7234498 via cif-deposit CGI script.	7234495.cif