Information card for entry 4103692

Structure parameters

• Common name: 07067c
• Formula: C50 H43 F12 Fe N11 O8 S2
• Calculated formula: C40 H28 F12 Fe N6 O8 S2
• Title of publication: Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle
• Authors of publication: Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17713 - 17723
• a: 11.299 ± 0.002 Å
• b: 12.053 ± 0.002 Å
• c: 12.362 ± 0.002 Å
• α: 115.343 ± 0.003°
• β: 94.307 ± 0.003°
• γ: 100.069 ± 0.003°
• Cell volume: 1476.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No