Information card for entry 4068139

Structure parameters

• Formula: C31 H52 I N O2 P2 Pd
• Calculated formula: C31 H52 I N O2 P2 Pd
• 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: 9.713 ± 0.003 Å
• b: 11.476 ± 0.003 Å
• c: 16.032 ± 0.005 Å
• α: 108.242 ± 0.004°
• β: 90.661 ± 0.004°
• γ: 92.202 ± 0.004°
• Cell volume: 1695.4 ± 0.9 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0235
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No