Information card for entry 1502997

Structure parameters

• Formula: C33 H50 F12 Mo3 P2 Pd S4
• Calculated formula: C33 H50 F12 Mo3 P2 Pd S4
• Title of publication: Highly efficient and regioselective allylation with allylic alcohols catalyzed by [Mo(3)S(4)Pd(eta(3)-allyl)] clusters.
• Authors of publication: Tao, Yinsong; Wang, Bo; Wang, Baomin; Qu, Lihong; Qu, Jingping
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2726 - 2729
• a: 12.422 ± 0.003 Å
• b: 15.87 ± 0.003 Å
• c: 23.192 ± 0.005 Å
• α: 90°
• β: 90.39 ± 0.03°
• γ: 90°
• Cell volume: 4571.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2012
• 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: No
• Has Fobs: No