Synthesis and Structure of a One-Dimensional Coordination Polymer Based Upon Tetracyanocalix[4]arene in the Cone Conformation

Tetracyanocalix[4]arene has been synthesized in a cone conformation and crystallized from solution in an orthorhombic system, space group P212121, with a = 13.7999(9) A, b = 16.820(1) A, c = 21.754(1) A, Dc = 1.218 g/cm3, Z = 4 (C62H47N5O4). Refinement based on 11008 observed reflections yielded R1 = 0.042. Further crystallographic studies have revealed that this compound self-assembles into a one-dimensional coordination polymer in the presence of Ag+ cation. This extended structure also crystallizes in an orthorhombic system, space group Cmca, with a = 17.770(1) A, b = 31.498(2) A, c = 23.107(2) A, Dc = 1.319 g/cm3, Z = 8 (C63H52AgCl2F6N4O6P). Refinement based on 7391 observed reflections yielded R1 = 0.109.