Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


scorpionates



yp3035 scheme

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


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster