Information card for entry 7015594
| Formula |
C39.5 H43.5 Cl2 Fe N10.5 O8.5 |
| Calculated formula |
C39.5 H43.5 Cl2 Fe N10.5 O8.5 |
| Title of publication |
Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase. |
| Authors of publication |
Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2011 |
| Journal volume |
40 |
| Journal issue |
24 |
| Pages of publication |
6433 - 6439 |
| a |
15.3381 ± 0.0007 Å |
| b |
15.3811 ± 0.0007 Å |
| c |
20.1461 ± 0.0009 Å |
| α |
73.264 ± 0.001° |
| β |
69.925 ± 0.001° |
| γ |
83.937 ± 0.001° |
| Cell volume |
4274.8 ± 0.3 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1581 |
| Residual factor for significantly intense reflections |
0.0995 |
| Weighted residual factors for significantly intense reflections |
0.2159 |
| Weighted residual factors for all reflections included in the refinement |
0.2493 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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