Information card for entry 4334205

Structure parameters

• Common name: Fe(ditox)3(OH)Li(THF2)
• Formula: C38 H78 Fe Li O6
• Calculated formula: C38 H78 Fe Li O6
• Title of publication: Iron in a Trigonal Tris(alkoxide) Ligand Environment
• Authors of publication: Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3159 - 3169
• a: 12.0816 ± 0.0008 Å
• b: 12.5916 ± 0.0008 Å
• c: 15.8864 ± 0.0011 Å
• α: 89.912 ± 0.001°
• β: 70.403 ± 0.001°
• γ: 64.822 ± 0.001°
• Cell volume: 2032 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No