Information card for entry 7025008

Structure parameters

• Formula: C42 H63 Cl3 Fe N10 O20.5
• Calculated formula: C42 H63 Cl3 Fe N10 O20.5
• 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: 41.3876 ± 0.0014 Å
• b: 14.1082 ± 0.0005 Å
• c: 18.3504 ± 0.0004 Å
• α: 90°
• β: 99.582 ± 0.002°
• γ: 90°
• Cell volume: 10565.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No