Crystal and molecular structure of ferricenium tetrachlorobismuthate

Ferricenium tetrachlorobismuthate, (C 5 H 5 ) 2 FeBiC1 4 , crystallizes in the monoclinic space group P2 1 /c with a = 10.998(5)A,b = 17.449(4)~, c = 7.569(4)A, B = 98.46(5)~.There are four molecules in the unit cell.Reflection intensities were measured by the 8 -28 scan method with a Picker FACS-1 automated diffractometer, MoKa radiation, and a graphite . 2 ( 2) monochromator.For 1374 data with F >3o F ; R 1 = 0.030, and R 2 = 0.037.The Bi atom is coordinated by 6 chloride ions in an irregular octahedral array; two pairs of Cl ions form halogen bridges with neighboring Bi ions resulting in an infinite chain of edge sharing octahedra.There are 6 independent Bi-Cl bond distances: 2.50(1)~ and 2.52(1)~, to nonbridging chlorines, and 2.70(1)~, 2.75(l)A, 2.95(l)A and 3.10(l)A to bridging chlorines.The bridging Cl-Bi-Cl bond angles are 80.3 and 83.9; the ten non-bridging Cl-Bi-Cl bond angles range from 85.9 to 99.3.The axial Cl-Bi-Cl bond angles are 166.0,174.5, and 175.9.-ii-The ferricenium cations stack between the polymer chains with cyclopentadiene rings in the eclipsed conformation, unlike the pure ferrocene molecule which shows staggered rings.The average C-C distance in the rings is 1.40(2)~, the distance between ring centers is 3.40(2)~ and the Fe-ring center distance is 1.70(2)~. '} 60~~767 -1-' C1 (2' )-Bi-C1 (3) .87.9 ( 1) C1 (2' )-Bi-C1 (4) 166.0(1)C 1 ( 3) -B i-Cl( 4)