Skip to main content
. Author manuscript; available in PMC: 2006 Jul 14.
Published in final edited form as: Inorg Chem. 2005 Jun 13;44(12):4346–4358. doi: 10.1021/ic050320p

Table 1.

Crystallographic Details for [Fe(TMP)(2-MeHIm)2]2·[Fe(TMP)(2-MeHIm)]2

formula C259.80H259.85Cl1.40Fe4N29.88O0.76
unit cell content 8×{[Fe(TMP)(2-MeHIm)2]2·[Fe(TMP)(2-MeHIm)]2·C6H5CH3·0.94(2-MeHIm)·0.7CH2Cl2·0.34CH3OH·0.42H2O}
FW, amu 4085.99
a, Å 39.8634(3)
c, Å 28.1013(6)
V, Å3 44655.5(11)
space group I 4¯
Z 8
Dc, g/cm3 1.216
F(000) 1729
μ, mm−1 0.334
crystal dimensions, mm 0.33 × 0.26 × 0.20
radiation MoKα, λ¯=0.71073 A˚
temperature, K 100(2)
total data collected 194984
absorption correction Semi-empirical from equivalents
unique data 44982 (Rint = 0.051)
unique observed data [I > 2σ(I)] 34716
refinement method Full-matrix least-squares on F2
final R indices [I > 2σ(I)] R1 = 0.0632, wR2 = 0.1728
final R indices (all data) R1 = 0.0882, wR2 = 0.1903
absolute structure parameter 0.463(9)