Information card for entry 4115436

Structure parameters

• Formula: C28 H36 Fe2 N2 Se2
• Calculated formula: C28 H36 Fe2 N2 Se2
• Title of publication: Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study
• Authors of publication: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 839 - 850
• a: 10.7903 ± 0.0011 Å
• b: 15.1341 ± 0.0012 Å
• c: 17.7815 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2903.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.0978
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No