Information card for entry 4132540

Structure parameters

• Formula: C33 H49 Cl N2 O3 P2 Pd
• Calculated formula: C33 H49 Cl N2 O3 P2 Pd
• SMILES: [Pd]1(Cl)([P](c2c(P(=[O]1)(N(C(C)C)C(C)C)N(C(C)C)C(C)C)cccc2)(c1ccccc1OC)c1c(OC)cccc1)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: 9.6631 ± 0.0006 Å
• b: 21.6925 ± 0.0014 Å
• c: 17.1226 ± 0.001 Å
• α: 90°
• β: 105.858 ± 0.001°
• γ: 90°
• Cell volume: 3452.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No