Information card for entry 1576553

Structure parameters

• Formula: C40 H36 Cl3 N3 Pd
• Calculated formula: C40 H36 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: 30.4347 ± 0.0004 Å
• b: 30.4347 ± 0.0004 Å
• c: 8.9629 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8302.1 ± 0.2 ų
• Cell temperature: 292.99 ± 0.1 K
• Ambient diffraction temperature: 292.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No