Information card for entry 4087900

Structure parameters

• Formula: C62 H116 O8 P6 Pd2
• Calculated formula: C62 H116 O8 P6 Pd2
• Title of publication: Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates
• Authors of publication: Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5095
• a: 9.2403 ± 0.0007 Å
• b: 28.012 ± 0.002 Å
• c: 14.0756 ± 0.001 Å
• α: 90°
• β: 96.217 ± 0.003°
• γ: 90°
• Cell volume: 3621.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No