Information card for entry 1559569

Structure parameters

• Formula: C75 H60 B Cl2 F24 N3 Pd
• Calculated formula: C75 H60 B Cl2 F24 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: 12.4888 ± 0.0001 Å
• b: 16.9952 ± 0.0002 Å
• c: 19.3546 ± 0.0002 Å
• α: 69.171 ± 0.001°
• β: 75.05 ± 0.001°
• γ: 81.715 ± 0.001°
• Cell volume: 3703.33 ± 0.07 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: 0.0508
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No