Information card for entry 1557622

Structure parameters

• Formula: C35 H32 Cl N O3 P2 Pd
• Calculated formula: C35 H32 Cl N O3 P2 Pd
• SMILES: [Pd]1([P](c2n(P(=[O]1)(c1ccccc1)c1ccccc1)c1ccccc1c2)(c1c(OC)cccc1)c1c(OC)cccc1)(Cl)C
• 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: 11.0648 ± 0.0004 Å
• b: 12.5473 ± 0.0005 Å
• c: 15.4261 ± 0.0005 Å
• α: 78.272 ± 0.001°
• β: 71.155 ± 0.001°
• γ: 88.709 ± 0.001°
• Cell volume: 1982.39 ± 0.13 ų
• Cell temperature: 173 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: 0.0473
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No