Information card for entry 4330937

Structure parameters

• Formula: C8 H12 F6 O7 Pd S
• Calculated formula: C8 H12 F6 O7 Pd S
• Title of publication: Characterization of DMSO Coordination to Palladium(II) in Solution and Insights into the Aerobic Oxidation Catalyst, Pd(DMSO)2(TFA)2
• Authors of publication: Tianning Diao; Paul White; Ilia Guzei; Shannon S. Stahl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11898 - 11909
• a: 8.382 ± 0.004 Å
• b: 7.65 ± 0.003 Å
• c: 24.478 ± 0.009 Å
• α: 90°
• β: 98.79 ± 0.03°
• γ: 90°
• Cell volume: 1551.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No