Information card for entry 4308103

Structure parameters

• Formula: C18 H33 Cl2 Fe N5 O8
• Calculated formula: C18 H33 Cl2 Fe N5 O8
• 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: 16.485 ± 0.002 Å
• b: 8.8459 ± 0.0011 Å
• c: 17.364 ± 0.003 Å
• α: 90°
• β: 98.145 ± 0.003°
• γ: 90°
• Cell volume: 2506.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2191
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No