Information card for entry 7015595
| Formula |
C46 H58 Cl3 Fe N12 O14 |
| Calculated formula |
C46 H58 Cl3 Fe N12 O14 |
| 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 |
11.8139 ± 0.0013 Å |
| b |
15.555 ± 0.002 Å |
| c |
16.3662 ± 0.0019 Å |
| α |
86.034 ± 0.004° |
| β |
71.979 ± 0.004° |
| γ |
89.103 ± 0.005° |
| Cell volume |
2853.1 ± 0.6 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 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 |
0.0676 |
| Residual factor for significantly intense reflections |
0.0601 |
| Weighted residual factors for significantly intense reflections |
0.1499 |
| Weighted residual factors for all reflections included in the refinement |
0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7015595.html
