The Crystal and Molecular Structure of a New Macrocyclic Ligand, (H6BDBPH)Br6·4H2O

摘要

The hexahydro\|bromide salt of a new 24\|membered hexaaza diphenol macrocyclic ligand, （H6BDBPH）Br6·4H2O （C 26H 56N6O6Br6, Mr= 1028.23）, crystallizes in the monoclinic system, space group P21/c, with cell parameters: a=14.441（5）, b=11.482（4）, c=12.090（6）, β=96.92°, V= 1990 （1）3, Z=2, Dc=1.716 g/cm3; F（000） =1024. MoKα radiation, λ= 0.71013), R = 0.0643 and wR = 0.1356 for 3507 independent reflections with I>2σ（I）. The macrocyclic ligand adapts chair form, and the crystallographic inversion center is located in the macrocyclic cavity, and the six bromide ions and four water molecules are situated symmetrically outside the macrocyclic cavity.