Information card for entry 1550752

Structure parameters

• Formula: C81 H65 B F24 N2 O3 Pd
• Calculated formula: C80.75 H62.6 B F23.875 N2 O2.75 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(OCc1occc1)CCC2.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(C(F)(F)F)cc(c1)C(F)(F)F
• Title of publication: Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts
• Authors of publication: Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 2029
• a: 27.646 ± 0.002 Å
• b: 21.9906 ± 0.0011 Å
• c: 25.7467 ± 0.0016 Å
• α: 90°
• β: 90.474 ± 0.007°
• γ: 90°
• Cell volume: 15652.2 ± 1.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No