(E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate

In the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIII cation is O,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly pla...

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Bibliographic Details
Main Authors: Da-Jun Wu, Bin Fang
Format: Article
Language:English
Published: International Union of Crystallography 2016-11-01
Series:IUCrData
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314616017272
Description
Summary:In the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIII cation is O,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly planar, with a dihedral angle of 9.6 (5)° between the planes of the pyridine and benzene rings. In the crystal, the cations are linked with the complex anions via weak C—H...F and C—H...π interactions. Two of the four independent thiophene rings are disordered over two sites; occupancies were refined to 0.662 (10):0.338 (10). The solvent water molecules are highly disordered in a solvent-accessible void of 54 (3) Å3; the diffuse electron densities were removed from the data set using SQUEEZE [Spek (2015). Acta Cryst. C71, 9–16]. These solvent molecules are not considered in the given chemical formula and other crystal data.
ISSN:2414-3146