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CIF Information Card
Information card for 7015595
7015594 << 7015595 >> 7015596Preview
|
Coordinates |
7015595.cif |
Structure parameters
| 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 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0676 |
| Residual factor for observed reflections | 0.0601 |
| Weighted residual factors for the observed reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |