Information card for entry 4077495

Structure parameters

• Chemical name: Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-kP)ferrocenyl]ethyl}- 3-phenyl-5-methyl-1H-pyrazole-kN}palladium (5)
• Formula: C35 H33 Cl8 Fe N2 P Pd Si2
• Calculated formula: C34.3 H31 Cl6.6 Fe N2 P Pd Si2
• Title of publication: Chiral Palladium(II)−Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies
• Authors of publication: Woo, Tom K.; Pioda, Giorgio; Rothlisberger, Ursula; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2144
• a: 17.966 ± 0.012 Å
• b: 17.966 ± 0.012 Å
• c: 10.785 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3015 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No