Information card for entry 1576554

Structure parameters

• Formula: C42 H44 Cl4 N4 Pd
• Calculated formula: C42 H44 Cl4 N4 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: 12.0167 ± 0.0001 Å
• b: 20.6583 ± 0.0002 Å
• c: 17.1121 ± 0.0002 Å
• α: 90°
• β: 101.764 ± 0.001°
• γ: 90°
• Cell volume: 4158.76 ± 0.07 ų
• Cell temperature: 300.03 ± 0.1 K
• Ambient diffraction temperature: 300.03 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No