Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 1 (January 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 25-28    [ doi:10.1107/S0108270112049281 ]

Two lanthanum(III) complexes containing [eta]2-pyrazolate and [eta]2-1,2,4-triazolate ligands: intra­molecular C-H...N/O inter­actions and coordination geometries

Y.-L. Wang, M. Feng, X. Tao, Q.-Y. Tang and Y.-Z. Shen

Abstract: The lanthanum(III) complexes tris­(3,5-diphenyl­pyrazolato-[kappa]2N,N')tris­(tetra­hydro­furan-[kappa]O)lanthanum(III) tetra­hydro­furan monosolvate, [La(C15H11N2)3(C4H8O)3]·C4H8O, (I), and tris­(3,5-diphenyl-1,2,4-triazolato-[kappa]2N1,N2)tris­(tetra­hydrofuran-[kappa]O)lanthanum(III), [La(C14H10N3)3(C4H8O)3], (II), both contain LaIII atoms coordinated by three heterocyclic ligands and three tetra­hydro­furan ligands, but their coordination geometries differ. Complex (I) has a mer-distorted octa­hedral geometry, while complex (II) has a fac-distorted configuration. The difference in the coordination geometries and the existence of asymmetric La-N bonding in the two complexes is associated with intra­molecular C-H...N/O inter­actions between the ligands.

Formula: [La(C15H11N2)3(C4H8O)3]·C4H8O and [La(C14H10N3)3(C4H8O)3]

hkldisplay filedownload file

Structure factor file (CIF format) (469.1 kbytes)
[ doi:10.1107/S0108270112049281/bi3050Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (433.5 kbytes)
[ doi:10.1107/S0108270112049281/bi3050IIsup3.hkl ]
Contains datablock II


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