Ioniliden Fe(III) carbonate complex
Ioniliden Fe(III) carbonate complex

This structer was produced by RasMol,
and stucked by GifBuilder (Yves Piguet, 1997)

This figure was drawn by ORTEP-III/Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations III (Michael N. Burnett and Carroll K. Johnson, Oak Ridge National Laboratory).

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X-Ray Data Summary
formulaC18 H22 Fe O4
space groupP212121
Cell Crystal
a 11.093(1) Ang. description rot
b 13.416(3) Ang. colour dark yellow
c 12.421(2) Ang. size (mm) 0.4x0.3x0.1
alpha 90. deg. Dx (g/ml) 1.287
beta 90. deg. F(000) 752
gamma 90. deg. mu(MoKa) 0.831
volume 1848.5(5) Ang^3
Z 4
Refinement Diffrn measurement
Flack -0.02(4) device type Rigaku AFC5R/RU-200
parameters 212 decay +2.9 %
restraints 0 index limit -13-h-13,-16-k-16,-15-L-15
R_factor_all 0.0777 theta (deg.) 2.89 - 26.49
R_factor_gt 0.0494 total reflections 4371
wR_factor_ref 0.1928 reflections(obs) 3196 .gt. 2sigma(I)
wR_factor_gt 0.1219 Structure
shift/su_max lt.0.001 solution SHELXS-86
shift/su_mean 0.000 refinement SHELXL-93

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Date: Feb.1998