Information card for entry 4079643

Structure parameters

• Formula: C60 H53 N6 O0.5 P2 Pd2
• Calculated formula: C60 H48 N6 O0.5 P2 Pd2
• Title of publication: Amination of Aryl Iodides Catalyzed by a Palladium‒Copper Complex Supported by a Chelate-Bridging Ligand
• Authors of publication: Tsukada, Naofumi; Ohnishi, Nozomi; Aono, Shiori; Takahashi, Fusako
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7336
• a: 10.8651 ± 0.0005 Å
• b: 14.8098 ± 0.0007 Å
• c: 32.569 ± 0.0013 Å
• α: 90°
• β: 98.057°
• γ: 90°
• Cell volume: 5188.9 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No