Information card for entry 2023503

Structure parameters

• Formula: C44 H34 Cl4 F3 I3 P2 Pd
• Calculated formula: C44 H34 Cl4 F3 I3 P2 Pd
• 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: 11.5608 ± 0.0005 Å
• b: 11.6437 ± 0.0005 Å
• c: 18.1311 ± 0.0008 Å
• α: 76.426 ± 0.001°
• β: 77.722 ± 0.001°
• γ: 81.344 ± 0.001°
• Cell volume: 2305.16 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0417
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0564
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No