Abstract
The asymmetric unit of the title compound, [Mn(CH3CN)(C8H6N4)2(H2O)][Mn(C8H6N4)2(H2O)2](ClO4)4·2H2O, contains two distinct cationic MnII complexes, four perchlorate anions and two solvent water molecules. In the two complexes, both MnII ions are six-coordinated in a distorted octahedral environment, but one Mn ion has a cis-N5O coordination geometry defined by four N atoms of the two chelating 2,2′-bipyrimidine (bpym) ligands, one N atom of a coordinating acetonitrile molecule and one O atom of a water ligand, whereas the other Mn ion has a cis-N4O2 coordination geometry defined by four N atoms of the two bpym ligands and two O atoms of water ligands. In the crystal structure, the complex molecules, anions and solvent water molecules are linked by intermolecular O—H⋯O and O—H⋯N hydrogen bonds. Three of the four perchlorate anions are disordered over two sets of sites in different ratios.
Highlights
The asymmetric unit of the title compound, [Mn(CH3CN)(C 8 H 6 N 4 ) 2 (H 2 O)][Mn(C 8 H 6 N 4 ) 2 (H 2 O) 2 ](ClO 4 ) 4 2H 2 O, contains two distinct cationic MnII complexes, four perchlorate anions and two solvent water molecules. Both MnII ions are six-coordinated in a distorted octahedral environment, but one Mn ion has a cis-N5O
Coordination geometry defined by four N atoms of the two chelating 2,20 -bipyrimidine ligands, one N atom of a coordinating acetonitrile molecule and one O atom of a water ligand, whereas the other Mn ion has a cis-N4O2 coordination geometry defined by four N atoms of the two bpym ligands and two O atoms of water ligands
The complex molecules, anions and solvent water molecules are linked by intermolecular O—H O and O—H N hydrogen bonds
Summary
Key indicators: single-crystal X-ray study; T = 200 K; mean (C–C) = 0.010 Å; disorder in solvent or counterion; R factor = 0.082; wR factor = 0.253; data-toparameter ratio = 17.0
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