UC Davis

The structure of the title compound octa-kis-{[4-(dimethyl-amino)-pyridine](nitros-yl)[N,N'-(o-phenyl-ene)bis-(pyridine-2-carboxamidato)]manganese(II)} ethanol hepta-solvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is an unusual example of a structure with Z' = 8. The tetra-dentate bpb ligand, together with the nitrosyl and dimethyl-amino-pyridine ligands, gives rise to a distorted octa-hedral coordination environment for the Mn(II) ion. The average Mn-N((N=O)) bond length is 1.631 (13) Å. The eight mol-ecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O-H⋯O hydrogen bonding inter-actions. For example, of the sixteen C=O acceptors, there are seven different inter-actions with EtOH donors and two inter-actions with H(2)O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [-0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules.