Abstract
The crystal structure of tetrakis(2-iodobenzoato)bis(caffeine)dicopper(II) at 210 K is monoclinic, space group P2 1/ n (No.14), unit cell parameters a=13.6090(4), b=13.5900(2), c=14.5370(4) Å, β=116.394(1)°, Z=2 and D calc=2.07 g cm −3. The structure consists of centrosymmetric [Cu 2(2IbzO) 4(caf) 2] units (2IbzO=2-iodobenzoate, caf=caffeine). These binuclear units are mutually held by van der Waals forces. Cu atoms are pentacoordinated by four carboxylic O atoms in the basal plane and one apical N atom from the caffeine molecule. CuO bond lengths are 1.961(3), 1.969(3), 1.969(2), 1.974(3) Å, and CuN bond length is 2.238(3) Å. The displacement of Cu atom from the basal plane is 0.2354(4) Å. The calculated Cu(II)N bond length by bond-valence sum model is 2.31 Å. The Cu…Cu distance is 2.7041(6) Å. The non-bonding character of Cu(II)…Cu(II) contact in 26 binuclear carboxylic complexes with CuO 4N chromophores is proved.
Published Version
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