Information card for entry 4077424

Structure parameters

• Formula: C31.5 H28 B Cl F4 N O3 P Pd
• Calculated formula: C31.5 H28 B Cl F4 N O3 P Pd
• Title of publication: Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands
• Authors of publication: Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5557
• a: 12.5765 ± 0.0001 Å
• b: 12.7653 ± 0.0002 Å
• c: 12.7816 ± 0.0001 Å
• α: 114.151 ± 0.001°
• β: 116.522 ± 0.001°
• γ: 94.51 ± 0.001°
• Cell volume: 1587.2 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.1081
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No