Information card for entry 4132541

Structure parameters

• Formula: C28 H37 Cl N O4 P Pd
• Calculated formula: C28 H37 Cl N O4 P Pd
• SMILES: [Pd]1(Cl)([P](c2c(cccc2)C(=O)O1)(c1ccccc1OC)c1c(OC)cccc1)C.CC[NH+](CC)CC
• 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: 8.7229 ± 0.0004 Å
• b: 15.938 ± 0.0008 Å
• c: 20.9835 ± 0.0011 Å
• α: 90°
• β: 98.316 ± 0.001°
• γ: 90°
• Cell volume: 2886.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No