Information card for entry 1552838

Structure parameters

• Formula: C63 H55 Cl N2 Pd S4
• Calculated formula: C63 H55 Cl N2 Pd S4
• SMILES: c1(c(cc(cc1[C@@H](c1sccc1)c1ccccc1)C)[C@@H](c1sccc1)c1ccccc1)[N]1=C(C)C(=[N](c2c(cc(cc2[C@H](c2sccc2)c2ccccc2)C)[C@H](c2cccs2)c2ccccc2)[Pd]1(Cl)C)C
• Title of publication: Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)
• Authors of publication: Na, Yinna; Dai, Shengyu; Chen, Changle
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 4040
• a: 24.121 ± 0.002 Å
• b: 9.6946 ± 0.0008 Å
• c: 25.198 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5892.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2274
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.328
• Weighted residual factors for all reflections included in the refinement: 0.3758
• 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: Yes
• Has Fobs: No