Crystallography Open Database

Information card for entry 7052369

Preview

Coordinates	7052369.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PPh4+, Au(tfadt)2-
Formula	C32 H20 Au F6 N2 P S4
Calculated formula	C32 H20 Au F6 N2 P S4
Title of publication	Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions
Authors of publication	Olivier Jeannin; Marc Fourmigué
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	12
Pages of publication	1774
a	25.7658 ± 0.0012 Å
b	8.0568 ± 0.0005 Å
c	17.6766 ± 0.0009 Å
α	90°
β	117.347 ± 0.004°
γ	90°
Cell volume	3259.4 ± 0.3 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	0.064
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
180077 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/23.	7052369.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052369.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052369.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052369.cif