Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


Acta Cryst. (2013). C69, 959-962    [ doi:10.1107/S0108270113016612 ]

Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H2B{3,5-(CF3)2pz}2]Tl and [HB{3,5-(CF3)2pz}3]Tl

H. V. R. Dias and J. Thankamani

Abstract: X-ray crystal structural data at 100 (2) K for the thallium(I) complex of a fluorinated bis(pyrazolyl)borate, {bis[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl-[kappa]N2]borato}thallium(I), [Tl(C10H4BF12N4)], abbreviated as [H2B{3,5-(CF3)2pz}2]Tl, and the related tris(pyrazolyl)borate, {tris[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl-[kappa]N2]borato}thallium(I), [Tl(C15H4BF18N6)], abbreviated as [HB{3,5-(CF3)2pz}3]Tl, are reported. [H2B{3,5-(CF3)2pz}2]Tl features a two-coordinate TlI atom with a bent geometry and a boat-shaped bis(pyrazolyl)borate ligand. It also has several additional inter- and intramolecular Tl...H and Tl...F contacts in the solid state. The tris(pyrazolyl)borate analogue [HB{3,5-(CF3)2pz}3]Tl has a trigonal-pyramidal thallium centre and features inter- and intramolecular Tl...F contacts.

Formula: [Tl(C10H4BF12N4)] and [Tl(C15H4BF18N6)]

Keywords: crystal structure; thallium; scorpionate; bis(pyrazolyl)borate; tris(pyrazolyl)borate; fluorinated.

hkldisplay filedownload file

Structure factor file (CIF format) (110.9 kbytes)
[ doi:10.1107/S0108270113016612/yp3035Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (102.9 kbytes)
[ doi:10.1107/S0108270113016612/yp3035IIsup3.hkl ]
Contains datablock II


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