Information card for entry 1558930

Structure parameters

• Formula: C23 H25 Cl N O3 P Pd
• Calculated formula: C23 H25 Cl N O3 P Pd
• SMILES: [Pd]1([P](N(C(=[O]1)c1ccccc1)C)(c1c(OC)cccc1)c1c(OC)cccc1)(Cl)C
• Title of publication: A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers
• Authors of publication: Cui, Lei; Jian, Zhongbao
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 38
• Pages of publication: 6187 - 6193
• a: 8.633 ± 0.0004 Å
• b: 10.4214 ± 0.0005 Å
• c: 16.3267 ± 0.0008 Å
• α: 78.073 ± 0.001°
• β: 86.924 ± 0.001°
• γ: 70.447 ± 0.001°
• Cell volume: 1354.1 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No