Information card for entry 4334206

Structure parameters

• Common name: OHFe(Ditox)3K(15C5)2
• Formula: C50 H103 Fe K O13
• Calculated formula: C52.1 H109.2 Fe K O14.55
• 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: 11.4144 ± 0.0007 Å
• b: 16.1991 ± 0.001 Å
• c: 17.6843 ± 0.001 Å
• α: 99.317 ± 0.001°
• β: 90.255 ± 0.001°
• γ: 109.732 ± 0.001°
• Cell volume: 3031.1 ± 0.3 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: 0.0664
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No