Information card for entry 4068138

Structure parameters

• Formula: C60 H114 I2 O2 P4 Pd2
• Calculated formula: C60 H114 I2 O2 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: 25.024 ± 0.014 Å
• b: 15.573 ± 0.006 Å
• c: 18.105 ± 0.008 Å
• α: 90°
• β: 111.238 ± 0.002°
• γ: 90°
• Cell volume: 6576 ± 5 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No