Information card for entry 4334203

Structure parameters

• Common name: Fe(Ditox)3(OH)Li(THF)2
• Formula: C38 H80 Fe Li O6
• Calculated formula: C38 H80 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: 12.107 ± 0.0005 Å
• b: 12.5462 ± 0.0005 Å
• c: 16.0073 ± 0.0007 Å
• α: 87.035 ± 0.001°
• β: 70.968 ± 0.001°
• γ: 62.728 ± 0.001°
• Cell volume: 2029.19 ± 0.15 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: 0.0587
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No