Information card for entry 4068775

Structure parameters

• Formula: C68 H74 B2 F8 I2 N4 P2 Pd2
• Calculated formula: C68 H74 B2 F8 I2 N4 P2 Pd2
• 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: 10.811 ± 0.0016 Å
• b: 45.221 ± 0.007 Å
• c: 15.263 ± 0.002 Å
• α: 90°
• β: 96.852 ± 0.003°
• γ: 90°
• Cell volume: 7408.5 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No