Crystallography Open Database

Information card for entry 7232887

Preview

Coordinates	7232887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 O4 S12
Calculated formula	C24 H15 O4 S12
Title of publication	Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor
Authors of publication	Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	32
Pages of publication	18353
a	29.44 ± 0.04 Å
b	8.383 ± 0.012 Å
c	11.176 ± 0.017 Å
α	90°
β	101.55 ± 0.02°
γ	90°
Cell volume	2702 ± 7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
215864 (current)	2019-06-12	cif/ Adding structures of 7232887, 7232888, 7232889, 7232890, 7232891 via cif-deposit CGI script.	7232887.cif