scorpionates
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-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-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 TlH and TlF 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 TlF contacts.
Keywords: crystal structure; thallium; scorpionate; bis(pyrazolyl)borate; tris(pyrazolyl)borate; fluorinated.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270113016612/yp3035sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270113016612/yp3035Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270113016612/yp3035IIsup3.hkl |