Information card for entry 1576555

Structure parameters

• Formula: C42 H40 Cl3 N3 Pd
• Calculated formula: C42 H40 Cl3 N3 Pd
• Title of publication: Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts
• Authors of publication: Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou
• Journal of publication: Polymer Chemistry
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 539 - 550
• a: 19.8191 ± 0.0007 Å
• b: 23.1145 ± 0.0009 Å
• c: 18.5583 ± 0.0009 Å
• α: 90°
• β: 104.135 ± 0.004°
• γ: 90°
• Cell volume: 8244.3 ± 0.6 ų
• Cell temperature: 260.03 ± 0.1 K
• Ambient diffraction temperature: 260.03 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0736
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No