Information card for entry 7019598

Structure parameters

• Formula: C33 H40 N6 O4 Pd
• Calculated formula: C33 H40 N6 O4 Pd
• Title of publication: Reaction of carbon dioxide with a palladium-alkyl complex supported by a bis-NHC framework.
• Authors of publication: Ariyananda, Piyal W. G.; Yap, Glenn P. A.; Rosenthal, Joel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7977 - 7983
• a: 13.403 ± 0.007 Å
• b: 19.118 ± 0.01 Å
• c: 14.849 ± 0.008 Å
• α: 90°
• β: 114.089 ± 0.007°
• γ: 90°
• Cell volume: 3474 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No