Information card for entry 4121537

Structure parameters

• Common name: complex-1e
• Formula: C32 H40 P2 Pd
• Calculated formula: C32 H40 P2 Pd
• Title of publication: Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.
• Authors of publication: Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4706 - 4713
• a: 9.7979 ± 0.0006 Å
• b: 9.4064 ± 0.0006 Å
• c: 16.2306 ± 0.0009 Å
• α: 90°
• β: 93.334 ± 0.005°
• γ: 90°
• Cell volume: 1493.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No