Information card for entry 4334202

Structure parameters

• Common name: Fe(ditox)3(OH)Li(THF)3+3THF
• Formula: C103 H214 Fe2 Li2 O19
• Calculated formula: C103 H214 Fe2 Li2 O19
• 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: 11.99 ± 0.005 Å
• b: 17.034 ± 0.005 Å
• c: 17.077 ± 0.006 Å
• α: 119.693 ± 0.009°
• β: 90.078 ± 0.006°
• γ: 90.019 ± 0.005°
• Cell volume: 3029.8 ± 1.9 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: 0.1325
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No