The triclinic form of di-μ-aqua-bis-[diaqua-bis-(thio-cyanato-κN)iron(II)]-1,4-bis-(4H-1,2,4-triazol-4-yl)benzene (1/3).
In the title compound, [Fe(2)(NCS)(4)(H(2)O)(6)]·3C(10)H(8)N(6), the centrosymmetric dinuclear complex contains two Fe(II) ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octa-hedral coordination environment of the two Fe(II) ions is completed by two monodentate aqua ligands and two thio-cyanate ligands. One of the 1,4-bis-(4H-1,2,4-triazol-4-yl)benzene mol-ecules lies across an inversion center. In the crystal, O-H⋯N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, π-π stacking inter-actions involving the benzene and triazole rings, with centroid-centroid distances in the range 3.502 (5)-3.787 (6) Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network.
Tianjin Key Laboratory of Structure and Performance for Functional Molecule, Tianjin Normal University, Tianjin 300071,  People's Republic of China.
Pan
P
Yang
Bin
B
Ding
Gui-Xiang
GX
Du