Information card for entry 4022205

Structure parameters

• Formula: ?
• Calculated formula: C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4
• Title of publication: Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions
• Authors of publication: Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 4684 - 4695
• a: 18.219 ± 0.003 Å
• b: 20.086 ± 0.004 Å
• c: 10.365 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3792 ± 1 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No