Information card for entry 7011898

Structure parameters

• Formula: C28.75 H40.5 Cl5.5 N3 O Pd
• Calculated formula: C28.75 H40 Cl5.5 N3 O Pd
• 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: 15.9261 ± 0.0013 Å
• b: 13.1424 ± 0.0011 Å
• c: 17.6773 ± 0.0014 Å
• α: 90°
• β: 112.388 ± 0.002°
• γ: 90°
• Cell volume: 3421.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No