Crystallography Open Database

Information card for entry 4344694

Preview

Coordinates	4344694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 N4 Ni S6
Calculated formula	C22 H36 N4 Ni S6
SMILES	C12=C(N(C(=S)N1CCCC)CCCC)S[Ni]1(S2)SC2=C(N(C(=S)N2CCCC)CCCC)S1
Title of publication	High Photothermal Activity within Neutral Nickel Dithiolene Complexes Derived from Imidazolium-Based Ionic Liquids.
Authors of publication	Mebrouk, Kenny; Camerel, Franck; Jeannin, Olivier; Heinrich, Benoit; Donnio, Bertrand; Fourmigué, Marc
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1296 - 1303
a	13.0192 ± 0.001 Å
b	5.1084 ± 0.0003 Å
c	21.3364 ± 0.0016 Å
α	90°
β	96.936 ± 0.004°
γ	90°
Cell volume	1408.64 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
175573 (current)	2016-02-04	cif/ Adding structures of 4344694 via cif-deposit CGI script.	4344694.cif