Information card for entry 4082059

Structure parameters

• Formula: C19 H28 N O3 P Pd S
• Calculated formula: C19 H28 N O3 P Pd S
• SMILES: c1cccc[n]1[Pd]1(C)OS(=O)(=O)c2c(cc(cc2)C)[P]1(C(C)C)C(C)C
• Title of publication: Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide
• Authors of publication: Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6895
• a: 29.166 ± 0.008 Å
• b: 9.204 ± 0.002 Å
• c: 15.971 ± 0.004 Å
• α: 90°
• β: 102.135 ± 0.004°
• γ: 90°
• Cell volume: 4191.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No