Crystallography Open Database

Information card for entry 7210409

Preview

Coordinates	7210409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H37.57 Br K0.81 O12.19 Ru S32
Calculated formula	C52 H37 Br K0.81 O12.19 Ru S32
Title of publication	The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion
Authors of publication	Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	7048
a	10.2882 ± 0.0005 Å
b	19.9728 ± 0.0011 Å
c	35.485 ± 0.002 Å
α	90°
β	93.483 ± 0.005°
γ	90°
Cell volume	7278.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0558
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180435 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04.	7210409.cif
87618	2013-08-27	cif/ Adding structures of 7210409, 7210410 via cif-deposit CGI script.	7210409.cif