The crystal structure of the complex [Cun(mnt)2]1 2'[MB+]2-(acetone) [CuC4oN10S6H36'C3H60] is reported, where mnt = maleonitriledithiolato (C4N2S2)2" and MB+ = the methylene blue cation = 3,9-bis(dimethylamino)phenazothionium.The space group is PI, with a = 10.346 (3) A, b = 14.522 (3) A, c = 15.524 (5) A, a = 93.69 (3)°, ß = 90.69 (2)°, y = 105.87 (3)°, and with Z = 2. The residuals are R = 4.4% and Pw = 4.4% for 4235 independent reflections collected with a diffractometer using Mo Ka radiation. The MB+ cations are stacked along the c axis. The [Cu(mnt)2]2" anions are paired, these pairs being stacked along the c axis as well. The anions have approximately D2 symmetry with a dihedral angle of 47.4°between the planes of the ligands. The copper-sulfur distances range from 2.240 (2) to 2.261 (2) A. Susceptibility measurements reveal an antiferromagnetic exchange coupling. An exchange J of -2.6 cm"1 was derived from a fit of a singlet-triplet model to the experimental data. Single-crystal EPR spectra are in accord with a triplet state of two coupled Cu(II) ions. The experimental g, copper hyperfine, and zero-field splitting tensors are compared with tensors which are calculated from semiemperical molecular orbital data.

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Der Titelkomplex als Cuprat des 3,9‐Bis‐[dimethylamino]‐phenazothionium‐Kations (Methylenblau‐Kation) mit einem Solvat‐Molekül Aceton kristallisiert mit Z= 2 in der Raumgruppe PT.