Information card for entry 4068141

Structure parameters

• Formula: C58 H110 O7 P4 Pd2
• Calculated formula: C58 H110 O7 P4 Pd2
• Title of publication: Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives
• Authors of publication: Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1073
• a: 8.958 ± 0.005 Å
• b: 10.801 ± 0.006 Å
• c: 16.399 ± 0.01 Å
• α: 86.83 ± 0.02°
• β: 84.948 ± 0.02°
• γ: 82.368 ± 0.019°
• Cell volume: 1565 ± 1.6 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No