Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


Acta Cryst. (2013). C69, 963-967    [ doi:10.1107/S0108270113016648 ]

Gallium hydride and monovalent indium compounds that feature tris­(pyrazol­yl)hydro­borate ligands

K. Yurkerwich, Y. Rong and G. Parkin

Abstract: The tris­(pyrazol­yl)hydro­borate compounds [tris­(3,5-dimethyl-1H-pyrazol-1-yl-[kappa]N2)hydro­borato]indium(I), [In(C15H22BN6)], abbreviated as [TpMe2]In, and [tris­(3-tert-butyl-5-methyl-1H-pyrazol-1-yl-[kappa]N2)hydro­borato]indium(I), [In(C24H40BN6)], abbreviated as [TpBut,Me]In, represent well defined examples of three-coordinate monovalent indium. In both compounds, the geometry at indium is pyramidal and natural bond orbital (NBO) calculations indicate that the indium lone pair occupies an orbital that is primarily 5s in character. The trivalent gallium hydride compound hydrido[tris­(3-tert-butyl-5-methyl-1H-pyrazol-1-yl-[kappa]N2)hydroborato]gallium(III) tetra­chlorido­gallium(III), [Ga(C24H40BN6)H][GaCl4], abbreviated as {[TpBut,Me]GaH}[GaCl4], is obtained via reaction of [TpBut,Me]Tl with [HGaCl2]2, and the Ga-H bond length of 1.49 (6) Å compares favorably with the mean value of 1.50 Å for structurally characterized gallium hydride compounds that are listed in the Cambridge Structural Database.

Formula: [In(C15H22BN6)], [In(C24H40BN6)] and [Ga(C24H40BN6)H][GaCl4]

Keywords: crystal structure; tris(pyrazolyl)hydroborate ligands; gallium complexes; indium complexes.

hkldisplay filedownload file

Structure factor file (CIF format) (113.7 kbytes)
[ doi:10.1107/S0108270113016648/yp3041Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (214.6 kbytes)
[ doi:10.1107/S0108270113016648/yp3041IIsup3.hkl ]
Contains datablock II

hkldisplay filedownload file

Structure factor file (CIF format) (287.7 kbytes)
[ doi:10.1107/S0108270113016648/yp3041IIIsup4.hkl ]
Contains datablock III


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