Information card for entry 4077496

Structure parameters

• Chemical name: Bis(trichlorosilyl)-{1-{(R)-1-[(S)-2-(diphenylphosphino-(P)ferrocenyl]ethyl}- 3-(2,4,6-trimethylphenyl)-1H-pyrazole-(N}palladium (6)
• Formula: C36 H35 Cl6 Fe N2 P Pd Si2
• Calculated formula: C36 H35 Cl6 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: 10.551 ± 0.002 Å
• b: 16.746 ± 0.003 Å
• c: 11.634 ± 0.002 Å
• α: 90°
• β: 105.28 ± 0.03°
• γ: 90°
• Cell volume: 1982.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1296
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No