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Refinements of the crystal structures of 1,4-diphenylbutadiyne and its complex with two moles of Co2(CO)6

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Abstract

1,4-diphenylbutadiyne, C16H10, crystallizes in monoclinic space group P21/n witha=6.6152(6),b=6.0768(7),c=14.634(1) Å, β=100.981(8)0,V=577.5(2) Å3,Z=2. The structure was refined toR=0.077 andR w=0.069 for 1007 observed reflections with CuKα radiation. The molecule lies on an inversion center. Our determination represents and increase in precision of a factor of approximately three over the original determination. The 2∶1 cobalt complex, C16H10[Co2(CO)6]2, also crystallizes in monoclinic space group P21/n witha=8.9568(12),b=17.7057(10),c=18.5671(12) Å, β=90.606(12)o,V=2944.3(5) Å3,Z=4. The structure was refined toR=0.032 andR w=0.031 for 4312 observed reflections. The diphenylbutadiyne triple bonds elongate to 1.346(3) Å and the angles at the diyne C atoms decrease to 134.1(3)–144.9(3)o upon complexation. The Co-Co distance is 2.4580(4)Å. Our data represent an increase in precision by a factor of 2–3 over the original determination.

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References

  1. Greenfield, H.; Sternberg, H.W.; Friedel, R.A.; Wotiz, J.H.; Markby, R.; Wender, I.J. Am. Chem. Soc. 1956,78, 120.

    Google Scholar 

  2. Hubel, W.; Merenyi, R.Chem. Ber. 1963,96, 930.

    Google Scholar 

  3. Dickson, R.S.; Tailby, G.R.Aust. J. Chem. 1969,22, 1143.

    Google Scholar 

  4. Johnson, B.F.G.; Lewis, J.; Raithby, P.R.; Wilkinson, D.A.J. Organomet. Chem. 1991,408, C9.

    Google Scholar 

  5. Surette, J.K.D.; MacDonald, M.; Zaworotko, M.J.; Singer, R.D.J. Chem. Cryst. 1994,24, 715.

    Google Scholar 

  6. Menelaou, M.A.; Foroozesh, M.; Williamson, G.B.; Fronczek, F.R.; Fischer, H.D.; Fischer, N.H.Phytochemistry 1992,31, 3769.

    Google Scholar 

  7. Lu, T.; Menelaou, M.A.; Vargas, D.; Fronczek, F.R.; Fischer, N.H.Phystochemistry 1993,32, 1483.

    Google Scholar 

  8. Fair, C.K.MolEN, An Interactive Structure Solution Procedure; Delft: The Netherlands, 1990.

  9. Main, P.; Fiske, S.J.; Hull, S.E.; Lessinger, L.; Germain, G.; Declercq, J.P.; Woolfson, M.M.MULTAN-80, A System of Computer Programs for the Automatic Solution of Crystal Structures from X-ray Diffraction Data; Universities of York: England/Louvain, Belgium, 1980.

    Google Scholar 

  10. M.J. Zaworotko, private communication.

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  1. Department of Chemistry, Louisiana State University, 70803, Baton Rouge, Louisiana

    Frank R. Fronczek & Mark S. Erickson

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  1. Frank R. Fronczek
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  2. Mark S. Erickson
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Fronczek, F.R., Erickson, M.S. Refinements of the crystal structures of 1,4-diphenylbutadiyne and its complex with two moles of Co2(CO)6 . J Chem Crystallogr 25, 737–742 (1995). https://doi.org/10.1007/BF01670327

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  • DOI: https://doi.org/10.1007/BF01670327

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