Information card for entry 4089010

Structure parameters

• Formula: C119.5 H182 Cl5 Li3 N3 O18 P3 Pd3 S6
• Calculated formula: C119.5 H182 Cl5 Li3 N3 O18 P3 Pd3 S6
• Title of publication: Self-Assembled Cage Structures and Ethylene Polymerization Behavior of Palladium Alkyl Complexes That Contain Phosphine-Bis(arenesulfonate) Ligands
• Authors of publication: Wei, Jia; Shen, Zhongliang; Filatov, Alexander S.; Liu, Qian; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3557
• a: 18.991 ± 0.002 Å
• b: 19.582 ± 0.002 Å
• c: 23.263 ± 0.003 Å
• α: 75.162 ± 0.003°
• β: 72.865 ± 0.003°
• γ: 82.851 ± 0.003°
• Cell volume: 7980.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No