The monoclinic 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).
The title complex, [Fe(2)(NCS)(4)(H(2)O)(6)]·3C(10)H(8)N(6), comprises two Fe(II) atoms octahedrally coordinated and bridged by two aqua O atoms that straddle a crystallographic inversion center, forming a quadrilateral core. The water ligands of the core are involved in hydrogen bonds with the triazole N atoms of the organic mol-ecules, which generates a layer motif in the ab plane. There are π-π stacking inter-actions between benzene rings of 3.490 (6) Å, and between triazole rings of 3.543 (8) and 3.734 (7) Å in neighboring layers, forming a three-dimensional network.
Tianjin Key Laboratory of Structure and Performance for Functional Molecule, Tianjin Normal University, Tianjin 300071,  People's Republic of China.
Yuan-Yuan
YY
Liu
Pan
P
Yang
Bin
B
Ding