Information card for entry 4082474

Structure parameters

• Formula: C69 H54 B2 Cl2 F8 O4 Pd S4
• Calculated formula: C68 H52 B2 F8 O4 Pd S4
• SMILES: [Pd]12([S@@](=O)(c3c(c4ccccc4cc3)c3c(S(=[O]1)c1ccc(cc1)C)ccc1c3cccc1)c1ccc(cc1)C)[S@@](=O)(c1c(c3ccccc3cc1)c1c(S(=[O]2)c2ccc(cc2)C)ccc2c1cccc2)c1ccc(cc1)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes
• Authors of publication: Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 627
• a: 8.4293 ± 0.0001 Å
• b: 26.3296 ± 0.0003 Å
• c: 14.5271 ± 0.0002 Å
• α: 90°
• β: 91.0399 ± 0.0007°
• γ: 90°
• Cell volume: 3223.61 ± 0.07 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No