Information card for entry 7107792

Structure parameters

• Formula: C102 H92 Fe2 N4 O9
• Calculated formula: C102 H62 Fe2 N4 O9
• 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: 26.435 ± 0.004 Å
• b: 12.5897 ± 0.0017 Å
• c: 18.562 ± 0.005 Å
• α: 90°
• β: 125.357 ± 0.001°
• γ: 90°
• Cell volume: 5038.2 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No