Information card for entry 1550893

Structure parameters

• Formula: C50.5 H37.5 Cl1.5 N2 Pd
• Calculated formula: C50.5 H37.5 Cl1.5 N2 Pd
• SMILES: [Pd]1([N](=C2C(=[N]1c1ccccc1C(c1ccccc1)c1ccccc1)c1cccc3cccc2c13)c1c(cccc1)C(c1ccccc1)c1ccccc1)(Cl)C
• Title of publication: Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts
• Authors of publication: Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 2596
• a: 14.876 ± 0.0012 Å
• b: 16.4609 ± 0.0014 Å
• c: 20.3155 ± 0.0017 Å
• α: 98.53 ± 0.002°
• β: 99.278 ± 0.002°
• γ: 116.092 ± 0.001°
• Cell volume: 4272.3 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No