Information card for entry 2023500

Structure parameters

• Formula: C44 H33 F6 I P2 Pd
• Calculated formula: C44 H33 F6 I P2 Pd
• SMILES: I[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes
• Authors of publication: Bosch, Eric
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 12.4498 ± 0.0005 Å
• b: 14.5714 ± 0.0006 Å
• c: 22.1464 ± 0.001 Å
• α: 90°
• β: 97.726 ± 0.001°
• γ: 90°
• Cell volume: 3981.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No