Information card for entry 1559573

Structure parameters

• Formula: C78 H67 B F24 I2 N3 Pd
• Calculated formula: C78 H67 B F24 I2 N3 Pd
• Title of publication: Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization
• Authors of publication: Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 124 - 135
• a: 13.006 ± 0.0004 Å
• b: 16.863 ± 0.0005 Å
• c: 19.2164 ± 0.0006 Å
• α: 98.154 ± 0.002°
• β: 96.07 ± 0.002°
• γ: 99.498 ± 0.002°
• Cell volume: 4078.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No