Crystal structure of bis(benzene-1 carboxylato-O 3,5-carboxyl-κ1O)-[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) ― benzene-1,3,5-tricarboxylic acid ― water (1/2/4), C52H66N4NiO28

C52H66N4NiO28, triclinic, P1 (no. 2), a = 11.292(6) angstrom, b = 11.670(6) angstrom, c = 12.165(6) angstrom, alpha = 81.872(6)(degrees), beta = 67.036(5)(degrees), gamma = 75.624(6)(degrees), V = 1428.1(12) angstrom 3, Z = 1, R-gt(F) = 0.0439, wR(ref)(F-2) = 0.1216, T = 296(2) K.

Automated summary

The compound has a chemical formula of C52H66N4NiO28 and a triclinic crystal structure.