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
| formula | C18 H22 Fe O4 | ||
| weight | 358.21 | ||
| symmetry | orthorhombic | ||
| space group | P212121 | ||
| 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