Information card for entry 4121534

Structure parameters

• Formula: C23 H37 Cl P2 Pd
• Calculated formula: C23 H37 Cl P2 Pd
• SMILES: [Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)C#CC#Cc1ccc(cc1)C
• 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: 8.4589 ± 0.001 Å
• b: 10.5591 ± 0.0012 Å
• c: 14.9611 ± 0.0018 Å
• α: 93.445 ± 0.001°
• β: 90.969 ± 0.001°
• γ: 101.984 ± 0.001°
• Cell volume: 1304.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No