Information card for entry 4305354

Structure parameters

• Formula: C38 H60 Cl Fe N4 O2
• Calculated formula: C38 H60 Cl Fe N4 O2
• 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: 32.385 ± 0.002 Å
• b: 14.0543 ± 0.0005 Å
• c: 17.8846 ± 0.0008 Å
• α: 90°
• β: 99.49 ± 0.005°
• γ: 90°
• Cell volume: 8028.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No