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Crystal structure of bis-[dihydrido(3,5-dimethyl-1-pyrazolyl) (3,5-diphenyl-1-pyrazolyl)borate]zinc(II), [Zn{H2B(3,5-Me2Pz)(3,5-Ph2Pz)}2]

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Abstract

Crystals of the title compound are monoclinic,a=13.796(1),b=16.727(1),c=16.1937(8) Å,β=102.063(5)°,V=3654.3(4) Å3, space groupP21/c,Z=4. The crystal structure was solved by Patterson and Fourier methods and refined toR=0.033 for 3883 unique reflections withF o>3σ(F o). The metal atom is tetrahedrically coordinated to two bidentate ligands with Zn-N distances and N-Zn-N angles in the range 1.982(2)–2.019(2) Å and 100.3(1)–119.5(1)°. The boat conformations of both BN4Zn chelate rings are unusually asymmetric (quasi-sofa), with the B atoms at 0.71 Å from the N4 mean plane, while the Zn atoms are at only 0.07 Å. Zn⋯B distances (3.784 and 3.794 Å) andv(B-H) stretching frequencies (2497 and 2400 cm−1) rule out agostic bonds. Overall the molecule displays approximate C2 symmetry. The temperature-dependent NMR spectra show no fluxional behavior in solution.

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Capparelli, M.V., Agrifoglio, G. Crystal structure of bis-[dihydrido(3,5-dimethyl-1-pyrazolyl) (3,5-diphenyl-1-pyrazolyl)borate]zinc(II), [Zn{H2B(3,5-Me2Pz)(3,5-Ph2Pz)}2]. Journal of Crystallographic and Spectroscopic Research 22, 651–657 (1992). https://doi.org/10.1007/BF01160981

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