Information card for entry 4327135

Structure parameters

• Formula: C34 H36 F6 Fe N4 O6 S2
• Calculated formula: C34 H36 F6 Fe N4 O6 S2
• Title of publication: Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes
• Authors of publication: Yu He; John D. Gorden; Christian R. Goldsmith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12651 - 12660
• a: 10.2508 ± 0.0011 Å
• b: 11.8558 ± 0.0012 Å
• c: 15.8754 ± 0.0016 Å
• α: 71.418 ± 0.002°
• β: 85.954 ± 0.002°
• γ: 76.263 ± 0.002°
• Cell volume: 1776.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No