Information card for entry 4077428

Structure parameters

• Formula: C59 H45 B F4 N P Pd
• Calculated formula: C59 H45 B F4 N P Pd
• SMILES: [Pd]123([P](c4c([N]1=Cc1ccccc1)cccc4)(c1ccccc1)c1ccccc1)C(=C(C(=C(c1ccccc1)c1ccccc1)[C]12=[CH]3C=CC=C1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• 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: 10.2153 ± 0.0003 Å
• b: 13.2332 ± 0.0004 Å
• c: 17.7982 ± 0.0006 Å
• α: 100.863 ± 0.001°
• β: 100.379 ± 0.001°
• γ: 90.292 ± 0.001°
• Cell volume: 2322.3 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0792
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No