Information card for entry 7705005

Structure parameters

• Formula: C82 H60 Cl10 F6 Fe2 P4 Pd2
• Calculated formula: C82 H60 Cl10 F6 Fe2 P4 Pd2
• 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: 12.1035 ± 0.0008 Å
• b: 13.6408 ± 0.0011 Å
• c: 14.2807 ± 0.0009 Å
• α: 102.276 ± 0.006°
• β: 104.322 ± 0.006°
• γ: 114.833 ± 0.007°
• Cell volume: 1934.3 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.1923
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No