Information card for entry 7107791

Structure parameters

• Formula: C113 H92 Cl2 Fe2 N4 O8
• Calculated formula: C113 H80 Cl2 Fe2 N4 O8
• Title of publication: What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?
• Authors of publication: Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5823
• a: 12.5225 ± 0.0014 Å
• b: 25.289 ± 0.003 Å
• c: 15.7743 ± 0.0018 Å
• α: 90°
• β: 95.27 ± 0.002°
• γ: 90°
• Cell volume: 4974.3 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2473
• Weighted residual factors for all reflections included in the refinement: 0.2713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No