Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 4 (April 2006)

metal-organic compounds

bm1623 scheme

Acta Cryst. (2006). C62, m132-m135 [ doi:10.1107/S0108270106002575 ]

Facial Cl interactions as the directing motif of the supramolecular structures of Mg²⁺ and Ca²⁺ bis[hydrotris(pyrazolyl)borate] chloroform disolvates

M. G. Ballinas-López, I. I. Padilla-Martínez, F. J. Martínez-Martínez, H. Höpfl and E. V. García-Báez

Abstract: The isomorphous complexes bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate, [Mg(C₉H₁₀BN₆)₂]·2CHCl₃, and bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate, [Ca(C₉H₁₀BN₆)₂]·2CHCl₃, crystallize in the cubic space group Pa $\overline{3}$ with Z = 4. The metal atoms occupy sites of $\overline{3}$ symmetry, and their coordination is very similar to that found for the unsolvated Mg[HB(Pz)₃]₂ and Ca[HB(Pz)₃]₂ complexes (Pz is pyrazole). The inclusion of chloroform molecules on threefold rotation axes not only leads to high-symmetry crystal structures but also plays an important role in stabilizing the three-dimensional supramolecular architecture through facial PzClPz interactions.

Formula: [Mg(C₉H₁₀BN₆)₂]·2CHCl₃ and [Ca(C₉H₁₀BN₆)₂]·2CHCl₃


	Structure factor file (CIF format) (48.4 kbytes) [ doi:10.1107/S0108270106002575/bm1623Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (64.2 kbytes) [ doi:10.1107/S0108270106002575/bm1623IIsup3.hkl ] Contains datablock II

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