Acta Phys. -Chim. Sin. ›› 1989, Vol. 5 ›› Issue (01): 27-32.doi: 10.3866/PKU.WHXB19890107

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THE CRYSTAL AND ELECTRONIC STRUCTURE OF [Cu2 (C6H4 (COO) (CONHC6H4CH3))4 (DMF)2]·4DMF

Yu Xiufen; Huang Zhongle; Sun Qionli Cong Aizhen Huang Xin   

  1. Fuzhou Laboratory, Fujian Institute of Research on the Structure of Matter, Academia Sinica;
    Department of Chemistry, Fuzhou University;
    Fujian Institute of Research on the Structure of Matter, Academia Sinica
  • Received:1987-05-03 Revised:1987-12-01 Published:1989-02-15

Abstract: The title compound is synthesized and crystallized in the monoclinic system; space group P1, a=1.0761(2), b=1.3930(4), c=1.5117(2) nm; α=114.74(2)°, β=101.82(2)°, γ=95.85(2)°; Z=1. The final R factor is 0.076 based on 2083 reflections with I≥3σ(I). In the title compound, coppcr(II) ions are bridged in pairs by four acetate groups with two DMF molecules occupying the terminal positions. The copper(II) ions are 0.020 nm out of the plane of the four oxygen atoms. The distance between the two copper(II) ions is 0.2635 nm which is only slightly greater than 0.255 nm, the interatomic distance in metal copper. A weak bonding existed between the two atoms.
SCC-EHMO calculation...