Crystal structure of a new zigzag chain Cu(II) complex with terephthalato and 1,10-phenonthroline ligands, [Cu(C8H4O4)(C12H8N2)(H2O)]n

Abstract

X-Ray crystal structure analysis of the complex [Cu(tpth)(phen)(H2O)]n, where tpht is the dianion of terephthalic acid and phen is 1,10-phenanthroline showed that two crystallographically different, but chemically identical tpht ions with monodentately coordinated COO groups exist; both tpht ions act as bridging ligands forming zigzag chains. The Cu(II) ions are in a deformed trigonal bipyramidal environment consisting of two N atoms from phen, two O atoms from different tpht ligands and one O atom from coordinated H2O molecule. The crystal data are as follows: C20H14CuN2O5, Mr = 425.87 triclinic system, space group P 1, a = 9.007(5), b = 10.557(5), c = 11.554(5) Å, α= 114.343(5), β = 92.942(5), γ = 114.516(5) º, V = 877.3(7) Å3, Z = 2 F(000) = 434, ρx = 1.612 g cm-3, μ = 1.281 mm-1, R1 = 0.0280 for 4363 reflections with I gt 2σ(I), wR2 = 0.0785 for 5104 independent reflections and 254 refined parameters. Some of data were compared with isostructural Co(II) and Zn(II) complexes having the same ligands.

Rendgenska strukturna analiza kompleksa [Cu(tpht)(phen)(H2O)]n, gde je tpht anjon tereftalne kiseline i phen je 1,10-fenantrolin, pokazala je da postoje dva kristalografski nezavisna, a hemijski identična tpht-jona, sa monodentatno koordiniranim COO-grupama; oba tpht-jona ponašaju se kao mostovni ligandi formirajući cik-cak lance. Cu(II)-joni su u deformisanom trigonalno-bipiramidalnom okruženju koje čine dva atoma N iz phen, dva atoma O iz različitih tpht-liganada i jedan atom O iz koordiniranog molekula H2O. Kristalografski podaci su sledeći: C20H14CuN2O5, Mr = 425,87, triklinični sistem, prostorna grupa P 1, a = 9,007(5), b = 10,557(5), c = 11,554(5) Å, α = 114,343(5), β = 92,942(5), γ = 114,516(5) º, V = 877,3(7) Å3, Z = 2, F(000) = 434, ρx = 1,612 g cm-3, μ = 1,281 mm-1, R1 = 0,0280 za 4363 refleksija sa I gt 2 σ(I), wR2 = 0,0785 za 5104 nezavisnih refleksija i 254 utačnjavana parametra. Neki podaci su upoređeni sa izostrukturnim Co(II) i Zn(II) kompleksima sa istim ligandima.