Information card for entry 4305356

Structure parameters

• Formula: C36.5 H60 Fe N3 O5
• Calculated formula: C36.5 H60 Fe N3 O5
• Title of publication: Molecular and Electronic Structures of Mononuclear Iron Complexes Using Strongly Electron-Donating Ligands and their Oxidized Forms
• Authors of publication: Julia B. H. Strautmann; Serena DeBeer George; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6804 - 6824
• a: 11.5748 ± 0.0003 Å
• b: 12.509 ± 0.0004 Å
• c: 28.7323 ± 0.0009 Å
• α: 98.638 ± 0.005°
• β: 92.331 ± 0.005°
• γ: 104.405 ± 0.005°
• Cell volume: 3970.4 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No