Information card for entry 1540654

Structure parameters

• Formula: C64 H62 B F24 N3 O0.5 Pd
• Calculated formula: C64 H62 B F24 N3 O0.5 Pd
• SMILES: [Pd]1([NH](c2c(cccc2C(C)C)C(C)C)C(C)(C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)([N]#CC)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O
• Title of publication: Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end
• Authors of publication: Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 529
• a: 12.1356 ± 0.0002 Å
• b: 13.0597 ± 0.0002 Å
• c: 22.3007 ± 0.0003 Å
• α: 103.235 ± 0.001°
• β: 98.496 ± 0.001°
• γ: 101.575 ± 0.001°
• Cell volume: 3300.29 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No