Information card for entry 4116315

Structure parameters

• Common name: 95060
• Formula: C44 H68 Cl3 Fe2 N9 O15.5
• Calculated formula: C44 H68 Cl3 Fe2 N9 O15.5
• Title of publication: Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions
• Authors of publication: Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2226 - 2235
• a: 26.1539 ± 0.0001 Å
• b: 64.6139 ± 0.0003 Å
• c: 12.7408 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21530.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1374
• Weighted residual factors for significantly intense reflections: 0.1327
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No