Information card for entry 7015595

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 ų
• 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