Information card for entry 1546990

Structure parameters

• Formula: C75 H62 B F24 N3 Pd
• Calculated formula: C75 H62 B F24 N3 Pd
• SMILES: [Pd]1([N](=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)C1c3c(C2c2c1cccc2)cccc3)c1c(cccc1C(C)C)C(C)C)([N]#CC)C.FC(F)(F)c1cc(cc(c1)[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)C(F)(F)F
• Title of publication: Precision Synthesis of Ethylene and Polar Monomer Copolymers by Palladium-Catalyzed Living Coordination Copolymerization
• Authors of publication: Zhong, Shuhuang; Tan, Yingxin; Zhong, Liu; Gao, Jie; Liao, Heng; Jiang, Long; Gao, Haiyang; Wu, Qing
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5661
• a: 12.8041 ± 0.0003 Å
• b: 16.33 ± 0.0003 Å
• c: 17.5886 ± 0.0004 Å
• α: 83.648 ± 0.002°
• β: 84.794 ± 0.002°
• γ: 86.404 ± 0.002°
• Cell volume: 3634.8 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No