Information card for entry 1557624

Structure parameters

• Formula: C38 H45 Cl4 N O3 P2 Pd
• Calculated formula: C38 H45 Cl4 N O3 P2 Pd
• SMILES: [Pd]1([P](c2c(c3c(OC)cccc3OC)cccc2)(c2n(P(=[O]1)(C(C)(C)C)C(C)(C)C)c1c(cccc1)c2)c1ccccc1)(Cl)C.ClC(Cl)Cl
• Title of publication: Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers
• Authors of publication: Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 2740 - 2748
• a: 10.2352 ± 0.0004 Å
• b: 14.3325 ± 0.0005 Å
• c: 14.817 ± 0.0005 Å
• α: 65.248 ± 0.001°
• β: 83.2 ± 0.001°
• γ: 79.814 ± 0.001°
• Cell volume: 1940.4 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0587
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No