Information card for entry 4066188

Structure parameters

• Formula: C60 H90 O2 P2 Pd
• Calculated formula: C60 H90 O2 P2 Pd
• Title of publication: Synthesis and Catalytic Applications of Stable Palladium Dioxygen Complexes
• Authors of publication: Sergeev, Alexey G.; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3368
• a: 15.864 ± 0.003 Å
• b: 14.489 ± 0.003 Å
• c: 22.849 ± 0.005 Å
• α: 90°
• β: 95.02 ± 0.03°
• γ: 90°
• Cell volume: 5231.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No