Information card for entry 7015594

Structure parameters

• Formula: C39.5 H43.5 Cl2 Fe N10.5 O8.5
• Calculated formula: C39.5 H43.5 Cl2 Fe N10.5 O8.5
• 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: 15.3381 ± 0.0007 Å
• b: 15.3811 ± 0.0007 Å
• c: 20.1461 ± 0.0009 Å
• α: 73.264 ± 0.001°
• β: 69.925 ± 0.001°
• γ: 83.937 ± 0.001°
• Cell volume: 4274.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1581
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No