Structural studies in the iron(III)/chloride/α,α'-diimine system. I : The six-coordinate mononuclear fac-[FeCl3(phen)X] system, X = MeOH, H2O, Cl-

Abstract

The crystal structures of three iron complexes [FeCI3(phen)(MeOH)].MeOH (I), [FeCl3(phen)(H2O)] (2) and [phenH]+ [FeCl4(phen)]- (3) have been determined by single-crystal X-ray diffraction methods at 295(1) K, and refined by least squares to residuals of 0.044 (1600 'observed' reflections), 0.040 (806) and 0.050 (2496), respectively. Crystals of (1) are monoclinic, P21/c, a 8.005(9), b 14.805(11), c 14.830(12) A, P 101.03(7)ଠZ 4; for (2), triclinic, space group P1 , a 10.591(8), b 10.227(7), c 6.613(3) ?, a 108.21(5), ߠ100.69(5), ? 91.98(6)ಬ 2 ; for (3), triclinic, P1, a 18.560(8), b 10.302(5), c 6.981(3) ?, a 106.79(4), ߠ94.50(4), ? 103.15(4)ଠZ 2. In all structures, the iron atoms are six-coordinate, with the disposition of the three chlorine atoms being fac in (1) and (2).