6533b86dfe1ef96bd12c9d56

RESEARCH PRODUCT

Synthesis and crystal structure of the low-spin iron(II) complex [Fe(bpym)3](ClO4)2·1/4H2O (bpym=2,2′-bipyrimidine)

José Antonio RealMiguel JulveGiovanni De Munno

subject

Inorganic ChemistryBond lengthCrystallographyDenticityMagnetic momentChemistryOctahedral molecular geometryMaterials ChemistrySinglet stateCrystal structurePhysical and Theoretical ChemistryGround stateMonoclinic crystal system

description

Abstract Single crystals of the mononuclear iron(II) complex of formula [Fe(bpym)3](ClO4)2·1/4H2O (bpym=2,2′-bipyrimidine) have been prepared and characterized crystallographically. The complex is monoclinic, P21/c, a=13.688(5), b=19.391(6), c=11.554(5) A, β=102.22(3)°, V=2997(2) A3, Z=4, R=0.063 and Rw=0.068. The structure analysis reveals a distorted octahedral geometry around the iron atom. The average Fe–N bond length and N–Fe–N bidentate angle are 1.970(5) A and 81.0(1)°, respectively. The value of the Fe–N distance and that of the room temperature magnetic moment are in agreement with its singlet 1A1 ground state.

https://doi.org/10.1016/s0020-1693(96)05340-6