Information card for entry 4132539

Structure parameters

• Formula: C29 H39 Cl O3 P2 Pd
• Calculated formula: C29 H39 Cl O3 P2 Pd
• SMILES: [Pd]1([P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(c1c(OC)cccc1)c1ccccc1OC)(Cl)C
• Title of publication: Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.
• Authors of publication: Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8841 - 8850
• a: 10.2642 ± 0.0003 Å
• b: 15.4645 ± 0.0005 Å
• c: 18.4446 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2927.72 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No