Information card for entry 7125642

Structure parameters

• Formula: C47 H54 O P2 Pd Si2
• Calculated formula: C47 H54 O P2 Pd Si2
• Title of publication: Air- and moisture-stable Xantphos-ligated palladium dialkyl complex as a precatalyst for cross-coupling reactions.
• Authors of publication: Takahashi, Rina; Kubota, Koji; Ito, Hajime
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 407 - 410
• a: 20.6034 ± 0.0004 Å
• b: 11.5855 ± 0.0002 Å
• c: 35.7054 ± 0.0008 Å
• α: 90°
• β: 97.72 ± 0.002°
• γ: 90°
• Cell volume: 8445.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No