Information card for entry 7011901

Structure parameters

• Formula: C29 H39 Cl4 N3 O4 Pd S
• Calculated formula: C29 H37 Cl4 N3 O4 Pd S
• Title of publication: Transformation of sulfur dioxide to sulfate at a palladium centre
• Authors of publication: MacLean, Elizabeth J.; Robinson, Richard I.; Teat, Simon J.; Wilson, Claire; Woodward, Simon
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3518
• a: 10.1352 ± 0.0005 Å
• b: 13.5105 ± 0.0006 Å
• c: 24.505 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3355.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No