Information card for entry 7011899

Structure parameters

• Formula: C31.5 H39.5 Cl13.5 N3 O3 Pd S
• Calculated formula: C31.5 H39.5 Cl13.5 N3 O3 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: 11.2719 ± 0.001 Å
• b: 20.494 ± 0.002 Å
• c: 20.23 ± 0.002 Å
• α: 90°
• β: 96.222 ± 0.002°
• γ: 90°
• Cell volume: 4645.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No