Information card for entry 4116977

Structure parameters

• Formula: C42 H35 F P2 Pd
• Calculated formula: C42 H35 F P2 Pd
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(F)c1ccccc1
• Title of publication: Molecular Fluoro Palladium Complexes
• Authors of publication: Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 4769 - 4770
• a: 11.4973 ± 0.0015 Å
• b: 23.932 ± 0.003 Å
• c: 24.811 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6826.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.2067
• Weighted residual factors for significantly intense reflections: 0.1101
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No