Information card for entry 7107178

Structure parameters

• Chemical name: 1,1'-bis(pyridine-2yl-methyl)-2,2'-bipiperidine iron diperchlorate bis-acetonitrile
• Formula: C26 H38 Cl2 Fe N6 O9
• Calculated formula: C26 H38 Cl2 Fe N6 O9
• Title of publication: A new efficient iron catalyst for olefin epoxidation with hydrogen peroxide
• Authors of publication: Elena A. Mikhalyova; Olga V. Makhlynets; Alexander S. Filatov; Elena V. Rybak-Akimova
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 687
• a: 8.4229 ± 0.001 Å
• b: 10.4692 ± 0.0012 Å
• c: 17.32 ± 0.002 Å
• α: 90°
• β: 94.296 ± 0.002°
• γ: 90°
• Cell volume: 1523 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No