Information card for entry 7705004

Structure parameters

• Formula: C46 H56 P2 Pd Sn
• Calculated formula: C46 H56 P2 Pd Sn
• SMILES: C(#Cc1ccccc1)[Pd]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
• 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: 10.3519 ± 0.0004 Å
• b: 9.1916 ± 0.0004 Å
• c: 46.0458 ± 0.0019 Å
• α: 90°
• β: 93.94 ± 0.003°
• γ: 90°
• Cell volume: 4370.9 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No