Information card for entry 4513680

Structure parameters

• Formula: C31 H36 Cl N O P2 Pd
• Calculated formula: C31 H36 Cl N O P2 Pd
• SMILES: [Pd]1(Cl)([P](c2ccccc2)(c2ccccc2P(c2ccccc2)(N(C(C)C)C(C)C)=[O]1)c1ccccc1)C
• Title of publication: Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes
• Authors of publication: Sui, Xuelin; Dai, Shengyu; Chen, Changle
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 5932
• a: 12.1032 ± 0.0005 Å
• b: 15.8942 ± 0.0005 Å
• c: 16.1513 ± 0.0007 Å
• α: 90°
• β: 106.192 ± 0.004°
• γ: 90°
• Cell volume: 2983.8 ± 0.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No