Information card for entry 1568726

Structure parameters

• Formula: C43 H41 Cl N2 Pd
• Calculated formula: C43 H41 Cl N2 Pd
• SMILES: [Pd]1([n]2c(C(=[N]1c1c(cc(C(c3ccccc3)c3ccccc3)cc1C(C)C)C(c1ccccc1)c1ccccc1)C)cccc2)(Cl)C
• Title of publication: Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization
• Authors of publication: Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 2107 - 2116
• a: 11.2154 ± 0.0016 Å
• b: 11.8439 ± 0.0018 Å
• c: 14.4771 ± 0.0019 Å
• α: 73.502 ± 0.011°
• β: 80.941 ± 0.011°
• γ: 78.858 ± 0.012°
• Cell volume: 1798.3 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0937
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No