Information card for entry 7705003

Structure parameters

• Formula: C31 H30 Cl2 F3 I N O P Pd
• Calculated formula: C31 H30 Cl2 F3 I N O P Pd
• SMILES: I[Pd]1([N](Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C)C)c1c(F)c(Cl)c(F)c(Cl)c1F.O1CCCC1
• Title of publication: Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.
• Authors of publication: Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11336 - 11345
• a: 10.9025 ± 0.0007 Å
• b: 13.2759 ± 0.0007 Å
• c: 13.466 ± 0.0006 Å
• α: 118.557 ± 0.005°
• β: 100.42 ± 0.005°
• γ: 96.292 ± 0.005°
• Cell volume: 1639.79 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No