Information card for entry 1546989

Structure parameters

• Formula: C77 H65 B F24 N2 O2 Pd
• Calculated formula: C77 H65 B F24 N2 O2 Pd
• SMILES: [Pd]12([N](=C3C(=[N]1c1c(cccc1C(C)C)C(C)C)C1c4c(C3c3c1cccc3)cccc4)c1c(cccc1C(C)C)C(C)C)[O]=C(OC)CCC2.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)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: 12.3168 ± 0.0003 Å
• b: 32.5315 ± 0.0007 Å
• c: 19.0366 ± 0.0004 Å
• α: 90°
• β: 101.275 ± 0.002°
• γ: 90°
• Cell volume: 7480.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No