CRYSTAL AND MOLECULAR-STRUCTURE OF THE (MU-HYDROXO)DICOPPER(II) O-BISTREN COMPLEX CU2(OH) (C24O3N8H54)BR3.6H2O Academic Article uri icon

abstract

  • The structure of Cu2(-OH)(O-BISTREN)Br3 has been determined. Cu2(OH)(O-BISTREN)Br3.6H2O crystallizes in space group C2/c with cell parameters a = 15.793 (3) , b = 11.100 (5) , c - 24.506 (6) , = 90.92 (2), V= 4296 (2) A3, Z = 4, and Mr= 994.64. RF = 0.053 for 2551 observed reflections with / > 2(I) and 341 variables. The structure comprises the cryptate O-BISTREN ligand encapsulating a Cu-OH-Cu unit. Each copper has distorted-trigonal-prismatic geometry that includes four nitrogens and the hydroxo oxygen. The Cu-0(H)-Cu angle is 155.5 (4). The hydroxo hydrogen points at a single O-BISTREN ether oxygen rather than being disordered over the three ether oxygen bridges. The hydroxo oxygen and hydrogen, together with this one O-BISTREN ether oxygen, lie on a 2-fold axis, fixing the geometry of the bridge. The water and bromine atoms are located between O-BISTREN molecular units and are involved in hydrogen bonding between adjacent molecules. The hydrogen bonding of the -hydroxo group to an ether oxygen bridge confirms the predictions previously made on the basis of solution thermodynamic data. 1989, American Chemical Society. All rights reserved.

published proceedings

  • INORGANIC CHEMISTRY

author list (cited authors)

  • MOTEKAITIS, R. J., RUDOLF, P. R., MARTELL, A. E., & CLEARFIELD, A.

citation count

  • 17

complete list of authors

  • MOTEKAITIS, RJ||RUDOLF, PR||MARTELL, AE||CLEARFIELD, A

publication date

  • January 1989