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Synthesis and structure of (η5-C5H5)2Hf(η1-NC4H4)2

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Abstract

The crystal structure of (η5-C5H5)2Hf(η1-NC4H4)2 has been determined from X-ray data measured by counter methods. The title compound is isostructural with (η5-C5H5)2Zr(η1-NC4H4)2, and crystallizes in the monoclinic space groupP21/c (C 52h , No. 14) with unit cell constantsa=9.605(3),b=8.174(3),c=19.487(4) Å, β=90.85(3)°, andZ=4 forD c=1.91 gcm−3. Full-matrix least-squares refinement gave a finalR value of 0.068 for 2154 independent observed reflections. The two cyclopentadienyl rings are η5-coordinated to the hafnium atom at an average Hf-C(η5−) distance of 2.51(1) Å. The Hf-N-centroid (σ-pyrrolyl) angles average 166°.

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Authors and Affiliations

  1. Department of Chemistry, Northern Illinois University, 60115, DeKalb, Illinois

    Robin D. Rogers

  2. Department of Chemistry, The University of Alabama, 35486, University, Alabama

    R. Vann Bynum & Jerry L. Atwood

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  1. Robin D. Rogers
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  2. R. Vann Bynum
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  3. Jerry L. Atwood
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Rogers, R.D., Vann Bynum, R. & Atwood, J.L. Synthesis and structure of (η5-C5H5)2Hf(η1-NC4H4)2 . Journal of Crystallographic and Spectroscopic Research 14, 21–28 (1984). https://doi.org/10.1007/BF01161419

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