Information card for entry 1517359

Structure parameters

• Common name: Pd-alkyne cat
• Formula: C20 H35 Cl P2 Pd
• Calculated formula: C20 H35 Cl P2 Pd
• SMILES: C(#Cc1ccccc1)[Pd](Cl)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex
• Authors of publication: Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan
• Journal of publication: Polym. Chem.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 6435
• a: 23.6604 ± 0.0011 Å
• b: 9.3856 ± 0.0004 Å
• c: 10.4813 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.55 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No