Synthesis, characterization, and single crystal X-ray diffraction studies of cis-Ph2C2H2(η5-C5H4)2Ca(THF)2

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Abstract

cis-[(1,2-diphenyl-1,2-dicyclopentadienyl)ethanediyl]bis(tetrahydrofuran)calcium is prepared by reductively coupling phenylfulvene with activated calcium to produce cis and trans isomers which can be separately crystallized. The cis isomer crystallizes in the monoclinic space group P21/c. The cell parameters are: a = 9.7006(1), b = 18.9839(1), c = 14.2018(2) Å, β = 91.263(1)°, V = 2614.70(5) Å3, Dcalc = 1.252 mg/m3, and Z = 4. Spectroscopic and crystallographic data for the cis-isomer are presented and discussed.

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