Information card for entry 4117066

Structure parameters

• Formula: C38 H58 F3 O2 P2 Pd
• Calculated formula: C38 H58 F3 O2 P2 Pd
• Title of publication: Highly Active Pd(II) PCP-Type Catalysts for the Heck Reaction
• Authors of publication: Manuela Ohff; Andreas Ohff; Milko E. van der Boom; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 11687 - 11688
• a: 11.738 ± 0.002 Å
• b: 12.183 ± 0.002 Å
• c: 15.259 ± 0.003 Å
• α: 107.9 ± 0.03°
• β: 109.15 ± 0.03°
• γ: 95.55 ± 0.03°
• Cell volume: 1913.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections: 0.1799
• Weighted residual factors for significantly intense reflections: 0.1523
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No