Information card for entry 7025007

Structure parameters

• Formula: C42 H50 Cl3 Fe N10 O14
• Calculated formula: C42 H50 Cl3 Fe N10 O14
• Title of publication: Non-heme iron(II/III) complexes that model the reactivity of lipoxygenase with a redox switch.
• Authors of publication: Mei, Fusheng; Ou, Chunping; Wu, Guiling; Cao, Li; Han, Fang; Meng, Xianggao; Li, Ji; Li, Dongfeng; Liao, Zhanru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4267 - 4269
• a: 14.306 ± 0.001 Å
• b: 24.6698 ± 0.0017 Å
• c: 14.8559 ± 0.001 Å
• α: 90°
• β: 104.784 ± 0.001°
• γ: 90°
• Cell volume: 5069.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No