Abstract
The structure of cyclopentadienyl(duroquinone)cobalt dihydrate, (C 5H 5)Co-[(CH 3) 4C 6O 2]·2H 2O, has been determined by three-dimensional X-ray analysis. The crystal structure consists of discrete cyclopentadienyl(duroquinone)cobalt molecules linked together by a complex network of hydrogen bonds between water molecules and duroquinone oxygen atoms. Each (C 5H 5)Co[(CH 3) 4C 6O 2] molecule consists of a cobalt atom sandwiched between a cyclopentadienyl ring and a duroquinone ring. A detailed comparison of the molecular parameters of this complex with those of closely related complexes is given. Crystallographic evidence that the metalduroquinone interaction in cyclopentadienyl(duroquinone)cobalt dihydrate is considerably stronger than that in the electronically-equivalent 1,5-cyclooctadiene(duroquinone)nickel complex is given not only by the metalC(olefin) distances being 0.12 Å (av) shorter in the duroquinonecobalt complex [ viz., 2.104(8) Å vs. 2.222(7) Å] but also by the much greater C 2 v -type distortion of the duroquinone ring from the planar D 2 h configuration in free duroquinone. The compound crystallizes with two formula species in a triclinic unit cell of symmetry P 1 and reduced cell dimensions á = 8.60 Å, b = 9.00 Å, c = 10.15 Å, α = 87° 34′, β = 84° 10′, γ = 73° 44′. Least-squares refinement yielded final unweighted and weighted discrepancy factors of R 1 = 10.8% and R 2 = 12.0%, respectively, for 2481 independent diffraction maxima collected photographically.
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