Information card for entry 4311777

Structure parameters

• Formula: C36 H35 B2 F8 N3 P2 Pd
• Calculated formula: C36 H35 B2 F8 N3 P2 Pd
• SMILES: [B](F)(F)(F)[F-].C12N3CC[P](c4ccccc4)(c4ccccc4)[Pd]=1([n]1ccccc1)[P](CCN2C=C3)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: A New Tridentate Pincer Phosphine/N-Heterocyclic Carbene Ligand: Palladium Complexes, Their Structures, and Catalytic Activities
• Authors of publication: Hon Man Lee; Jing Yao Zeng; Ching-Han Hu; Ming-Tsung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6822 - 6829
• a: 17.598 ± 0.007 Å
• b: 13.394 ± 0.005 Å
• c: 17.272 ± 0.007 Å
• α: 90°
• β: 107.512 ± 0.012°
• γ: 90°
• Cell volume: 3882 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No