Information card for entry 4308102

Structure parameters

• Formula: C20 H33 F6 Fe N5 O6 S2
• Calculated formula: C20 H33 F6 Fe N5 O6 S2
• Title of publication: Synthesis and Catalytic Properties in Olefin Epoxidation of Novel Iron(II) Complexes with Pyridine-Containing Macrocycles Bearing an Aminopropyl Pendant Arm
• Authors of publication: Sonia Taktak; Wanhua Ye; Aida M. Herrera; Elena V. Rybak-Akimova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2929 - 2942
• a: 8.7638 ± 0.0013 Å
• b: 8.9187 ± 0.0013 Å
• c: 19.95 ± 0.003 Å
• α: 93.991 ± 0.003°
• β: 96.393 ± 0.003°
• γ: 115.802 ± 0.002°
• Cell volume: 1382.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No