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Synthesis and structure of (η5-C5H5)2Hf(η1-NC4H4)2
Authors:Robin D Rogers  R Vann Bynum  Jerry L Atwood
Institution:(1) Department of Chemistry, Northern Illinois University, 60115 DeKalb, Illinois;(2) Department of Chemistry, The University of Alabama, 35486 University, Alabama
Abstract:The crystal structure of (eegr5-C5H5)2Hf(eegr1-NC4H4)2 has been determined from X-ray data measured by counter methods. The title compound is isostructural with (eegr5-C5H5)2Zr(eegr1-NC4H4)2, and crystallizes in the monoclinic space groupP21/c (C 2h 5 , No. 14) with unit cell constantsa=9.605(3),b=8.174(3),c=19.487(4) Å, beta=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 eegr5-coordinated to the hafnium atom at an average Hf-C(eegr5–) distance of 2.51(1) Å. The Hf-N-centroid (sgr-pyrrolyl) angles average 166°.
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