Information card for entry 4068774

Structure parameters

• Formula: C59 H49.5 B F4 I N2.5 P2 Pd
• Calculated formula: C59 H49.5 B F4 I N2.5 P2 Pd
• Title of publication: Palladium(II) Pyrazolin-4-ylidenes: Substituent Effects on the Formation and Catalytic Activity of Pyrazole-Based Remote NHC Complexes
• Authors of publication: Han, Yuan; Lee, Li Juan; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2778
• a: 18.223 ± 0.0014 Å
• b: 16.6331 ± 0.0014 Å
• c: 17.5608 ± 0.0014 Å
• α: 90°
• β: 104.543 ± 0.002°
• γ: 90°
• Cell volume: 5152.2 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No