Information card for entry 7011902

Structure parameters

• Formula: C27 H39 N3 O6 Pd S
• Calculated formula: C27 H39 N3 O6 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: 13.79 ± 0.005 Å
• b: 19.148 ± 0.006 Å
• c: 10.992 ± 0.004 Å
• α: 90°
• β: 95.117 ± 0.008°
• γ: 90°
• Cell volume: 2890.9 ± 1.7 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: 0.0709
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No