Crystallography Open Database

Information card for entry 4310240

Preview

Coordinates	4310240.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Na(18c6))2, Ni(S2C2(CF3)(CN))2
Formula	C34 H54 F6 N2 Na2 Ni O14 S4
Calculated formula	C34 H54 F6 N2 Na2 Ni O14 S4
Title of publication	Between Ni(mnt)2 and Ni(tfd)2i Dithiolene Complexes: the Unsymmetrical 2-(Trifluoromethyl)acrylonitrile-1,2-dithiolate and Its Nickel Complexes
Authors of publication	Olivier Jeannin; Jacques Delaunay; Frédéric Barrière; Marc Fourmigué
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9763 - 9770
a	28.35 ± 0.006 Å
b	10.787 ± 0.002 Å
c	17.958 ± 0.004 Å
α	90°
β	119.99 ± 0.03°
γ	90°
Cell volume	4756 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0706
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.889
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
179141 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02.	4310240.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310240.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310240.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310240.cif