Crystallography Open Database

Information card for entry 4115217

Preview

Coordinates	4115217.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt
Formula	C52 H24 Ga O13 S32
Calculated formula	C52 H24 Ga O13 S32
Title of publication	Effect of Included Guest Molecules on the Normal State Conductivity and Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine, Nitrobenzene)
Authors of publication	Hiroki Akutsu; Akane Akutsu-Sato; Scott S. Turner; Delphine Le Pevelen; Peter Day; Vladimir Laukhin; Anne-Katrin Klehe; John Singleton; Derek A. Tocher; Michael R. Probert; Judith A. K. Howard
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	12430 - 12431
a	10.2588 ± 0.0001 Å
b	19.7015 ± 0.0001 Å
c	34.9512 ± 0.0003 Å
α	90°
β	93.3665 ± 0.0004°
γ	90°
Cell volume	7051.93 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.1752
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115217.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115217.cif
68660	2012-11-14	cif/ Adding structures of 4115217 via cif-deposit CGI script.	4115217.cif