Crystallography Open Database

Information card for entry 7052368

Preview

Coordinates	7052368.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(perylene)1.5,[Ni(tfadt)2]
Formula	C38 H18 F6 N2 Ni S4
Calculated formula	C38 H18 F6 N2 Ni 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	10.8853 ± 0.0014 Å
b	12.6566 ± 0.0014 Å
c	13.1882 ± 0.0016 Å
α	113.253 ± 0.013°
β	103.614 ± 0.014°
γ	94.149 ± 0.014°
Cell volume	1594.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.823
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.	7052368.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052368.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052368.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052368.cif