Information card for entry 4082061

Structure parameters

• Formula: C28 H44 Cl4 O6 P2 Pd S2
• Calculated formula: C28 H44 Cl4 O6 P2 Pd S2
• SMILES: c12c(ccc(c1)C)S(=O)(=O)O[Pd]1(OS(=O)(=O)c3c(cc(cc3)C)[P]1(C(C)C)C(C)C)[P]2(C(C)C)C(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 11.564 ± 0.011 Å
• b: 11.102 ± 0.01 Å
• c: 16.492 ± 0.011 Å
• α: 90°
• β: 122.57 ± 0.05°
• γ: 90°
• Cell volume: 1784 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No