Information card for entry 4501464

Structure parameters

• Common name: 07218b
• Formula: C16 H30 F6 Fe N4 O6 S2
• Calculated formula: C16 H30 F6 Fe N4 O6 S2
• SMILES: C1CC[N]2(CC[N]34[Fe]52([N]1(CC4)CC[N]5(CCC3)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C
• Title of publication: Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites
• Authors of publication: Feng, Yan; England, Jason; Que, Lawrence
• Journal of publication: ACS Catalysis
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1035
• a: 8.8289 ± 0.0008 Å
• b: 32.679 ± 0.003 Å
• c: 16.3726 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4723.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No