Puckered-Boat Conformation Hexameric Water Clusters Stabilized in a 2D Metal−Organic Framework Structure Built from Cu(II) and 1,2,4,5-Benzenetetracarboxylic Acid

This is the authors' abstract. We don't add key points for this paper.

1,2,4,5-Benzenetetracarboxylic acid (btcH(4)) reacts with Cu(NO(3))(2).6H(2)O to form 2D coordination polymeric structure [[Cu(2)(btc)(Py)(4).2H(2)O].4H(2)O](n), 1, in the presence of pyridine from water at room temperature. Puckered-boat-shaped hexameric water clusters resulting from four free water molecules and two water molecules coordinating to metal ions join these sheets to make a 3D network. These water clusters behave as pillars to join those sheets which is the key factor stabilizing the 3D network. Thermal analysis, X-ray powder diffraction, and X-ray structure analysis have been used to characterize this compound. Crystal data for 1 follow: triclinic space group P1, a = 8.905(3) A, b = 11.137(4) A, c = 17.484(2) A, alpha = 82.342(6) degrees, beta = 81.312(3) degrees, gamma = 82.361(4) degrees V= 1687.5(1)A(3), Z = 2, R1 = 0.0331, wR2 = 0.0886, S =1.066.