Information card for entry 7107755

Structure parameters

• Formula: C49 H44 Cl N4 O2 P Pd
• Calculated formula: C49 H44 Cl N4 O2 P Pd
• Title of publication: Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group
• Authors of publication: Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5632
• a: 12.507 ± 0.006 Å
• b: 13.088 ± 0.012 Å
• c: 14.438 ± 0.007 Å
• α: 103.747 ± 0.009°
• β: 115.434 ± 0.006°
• γ: 90.425 ± 0.009°
• Cell volume: 2057 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No