Information card for entry 8000063

Structure parameters

• Formula: C77 H89 F12 Mn2 N4 O13.5 Sb2
• Calculated formula: C77 H75 F12 Mn2 N4 O13.5 Sb2
• Title of publication: Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides
• Authors of publication: Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 848
• a: 15.8627 ± 0.0007 Å
• b: 13.034 ± 0.0005 Å
• c: 19.6598 ± 0.0009 Å
• α: 90°
• β: 90.244 ± 0.002°
• γ: 90°
• Cell volume: 4064.7 ± 0.3 ų
• Cell temperature: 113.2 K
• Ambient diffraction temperature: 113.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No