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The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey

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Abstract Two new polymeric, one and two-dimensional compounds [Fe(dmbpy) (μ 1,5 -dca) 2 ] (1) and [Fe(4,4′-bpy) (μ 1,5 -dca) 2 ].0.24(4,4′-bpy).0.5(EtOH) ( 2 ), in which dmbpy = 5,5′-dimethyl-bipyridine, dca = dicyanamide and… Click to show full abstract

Abstract Two new polymeric, one and two-dimensional compounds [Fe(dmbpy) (μ 1,5 -dca) 2 ] (1) and [Fe(4,4′-bpy) (μ 1,5 -dca) 2 ].0.24(4,4′-bpy).0.5(EtOH) ( 2 ), in which dmbpy = 5,5′-dimethyl-bipyridine, dca = dicyanamide and 4,4′-bpy = 4,4′-bipyridine, has been synthesized under solvothermal conditions and fully characterized by elemental analysis, FT-IR s pectroscopy and X-ray single crystal diffraction. Compound 1 , with a rare coordination environment, is the only well-known example in which end-to-end double bridged dca ligands and a bidentate bulky aromatic ligand (dmbpy) are coordinated simultaneously to the iron center. Structural analysis of compound 2 showed it is a novel two-dimensional coordination polymer, constructed from repetition of 4,4′-bpy and dca as a bidentate bridging ligand. Changing the co-ligand to 4,4′-bpy, lead to completely different structure geometry and network, which confirms the substantial effect of co-ligand. Furthermore, Hirshfeld surfaces analyses have been performed to help understand the packing.

Keywords: analysis; bpy; bridging ligand; ligand; end end

Journal Title: Journal of Molecular Structure
Year Published: 2018

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